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CAS No.: | 25902-89-0 |
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Name: | 2(1H)-Pyrimidinone, 4-methoxy-5-methyl- (8CI,9CI) |
Molecular Structure: | |
Formula: | C6H8N2O2 |
Molecular Weight: | 140.142 |
Synonyms: | 2(1H)-Pyrimidinone,4-methoxy-5-methyl- (8CI,9CI);2-Pyrimidinol, 4-methoxy-5-methyl- (6CI);4-Methoxy-5-methyl-2(1H)-pyrimidinone;4-Methoxy-5-methyl-2-pyrimidinol;4-Methoxy-5-methyl-2-pyrimidinone;4-O-Methylthymine;O4-Methylthymine; |
Density: | 1.25 g/cm3 |
Melting Point: | 182-183 °C(Solv: methanol (67-56-1)) |
PSA: | 54.98000 |
LogP: | 0.08690 |
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This chemical is called 2(1H)-Pyrimidinone,6-methoxy-5-methyl-, and its systematic name is 6-methoxy-5-methylpyrimidin-2(1H)-one. With the molecular formula of C6H8N2O2, its molecular weight is 140.1399. The CAS registry number of this chemical is 25902-89-0. Additionally, its product category is Pyrimidine.
Other characteristics of the 2(1H)-Pyrimidinone,6-methoxy-5-methyl- can be summarised as followings: (1)ACD/LogP: -1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.02; (4)ACD/LogD (pH 7.4): -1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 6.62; (8)ACD/KOC (pH 7.4): 6.56; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9 Å2; (13)Index of Refraction: 1.549; (14)Molar Refractivity: 35.62 cm3; (15)Molar Volume: 111.8 cm3; (16)Polarizability: 14.12×10-24cm3; (17)Surface Tension: 39.5 dyne/cm; (18)Density: 1.25 g/cm3.
You can still convert the following datas into molecular structure:
1.SMILES: O=C1/N=C\C(=C(\OC)N1)C
2.InChI: InChI=1/C6H8N2O2/c1-4-3-7-6(9)8-5(4)10-2/h3H,1-2H3,(H,7,8,9)
3.InChIKey: NWUTZAVMDAGNIG-UHFFFAOYAF