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Cas Database |
| Name |
4(3H)-Pteridinone,2-amino-6-methyl- |
EINECS | N/A |
| CAS No. | 708-75-8 | Density | 1.76 g/cm3 |
| PSA | 97.55000 | LogP | 0.18490 |
| Solubility | N/A | Melting Point |
>300 °C |
| Formula | C7H7N5O | Boiling Point | 432 °C at 760 mmHg |
| Molecular Weight | 177.165 | Flash Point | 215.1 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols | Xi |
| Synonyms |
4(1H)-Pteridinone,2-amino-6-methyl- (8CI,9CI);2-Amino-4-hydroxy-6-methylpteridine;6-Methylpterin; |
Article Data | 38 |
4(3H)-Pteridinone,2-amino-6-methyl- Synthetic route
| Conditions | Yield |
|---|---|
| With sodium hydrogensulfite; sodium sulfite In water at 0 - 20℃; for 13h; | 80% |
- 1004-75-7
2,5,6-triamino-4-hydroxypyrimidine
- 78-98-8
2-oxopropanal
- 708-75-8
2-amino-6-methylpteridin-4(1H)-one
| Conditions | Yield |
|---|---|
| Stage #1: 2,5,6-triamino-4-hydroxypyrimidine With sodium sulfite In water Stage #2: 2-oxopropanal With sodium hydrogensulfite In water at 5 - 20℃; | 80% |
- 35011-47-3
2,4,5-triamino-6-hydroxypyrimidine sulfate
- 78-98-8
2-oxopropanal
- 708-75-8
2-amino-6-methylpteridin-4(1H)-one
| Conditions | Yield |
|---|---|
| With sodium metabisulfite; sodium sulfite In water at 0 - 25℃; for 16.5h; | 75% |
| Conditions | Yield |
|---|---|
| In water at 0 - 5℃; for 0.0172222h; Isay condensation; microwave irradiation; | 70% |
- 142645-50-9
6-methyl-2-pivaloylamino-4(3H)-pteridinone
- 708-75-8
2-amino-6-methylpteridin-4(1H)-one
| Conditions | Yield |
|---|---|
| With perchloric acid at 70 - 80℃; for 0.25h; | 62% |
- 113193-95-6
7-methoxy-6-methylpterin
A
- 708-75-8
2-amino-6-methylpteridin-4(1H)-one
B
- 113193-97-8
2-Amino-8-ethyl-1,9-dihydro-purin-6-one
| Conditions | Yield |
|---|---|
| With aluminum-mercury amalgam; ammonia In methanol; water for 10h; Ambient temperature; | A 14% B 42% |
| Conditions | Yield |
|---|---|
| for 0.0177778h; Isay condensation; microwave irradiation; | 40% |
- 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone
- 73323-67-8
N-acetyl-α-aminopropionaldehyde
- 708-75-8
2-amino-6-methylpteridin-4(1H)-one
| Conditions | Yield |
|---|---|
| With triethylamine In water; N,N-dimethyl-formamide at 20℃; for 120h; Product distribution; various substituted carbonyl compounds, regioselectivity; | 30% |
| With triethylamine In water; N,N-dimethyl-formamide at 20℃; for 120h; | 30% |
| Conditions | Yield |
|---|---|
| for 0.0208333h; Isay condensation; microwave irradiation; | 28% |
- 67-56-1
methanol
- 1004-75-7
2,5,6-triamino-3,4-dihydro-4-pyrimidinone
- 513-88-2
1,1-Dichloroacetone
- 708-75-8
2-amino-6-methylpteridin-4(1H)-one
| Conditions | Yield |
|---|---|
| bei pH 1.6; |
4(3H)-Pteridinone,2-amino-6-methyl- Specification
The 4(3H)-Pteridinone,2-amino-6-methyl-, with the CAS registry number 708-75-8, is also known as 4(1H)-Pteridinone, 2-amino-6-methyl-. It belongs to the product category of Piperidine. This chemical's molecular formula is C7H7N5O and molecular weight is 177.16338. What's more, its systematic name is called 2-Amino-6-methylpteridin-4(1H)-one.
Physical properties about 4(3H)-Pteridinone,2-amino-6-methyl- are: (1)ACD/LogP: -1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.44; (4)ACD/LogD (pH 7.4): -1.44; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.94; (8)ACD/KOC (pH 7.4): 3.94; (9)#H bond acceptors: 6; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 61.69 Å2; (13)Index of Refraction: 1.842; (14)Molar Volume: 100.2 cm3; (15) Molar Refractivity: 44.5 cm3; (16)Surface Tension: 79.5 dyne/cm; (17)Density: 1.76 g/cm3; (18)Flash Point: 215.1 °C; (19)Enthalpy of Vaporization: 68.77 kJ/mol; (20)Boiling Point: 432 °C at 760 mmHg; (21)Vapour Pressure: 1.15E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C2\N=C(/Nc1ncc(nc12)C)N
(2) InChI: InChI=1/C7H7N5O/c1-3-2-9-5-4(10-3)6(13)12-7(8)11-5/h2H,1H3,(H3,8,9,11,12,13)
(3) InChIKey: UDOGNMDURIJYQC-UHFFFAOYAE
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