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5122-36-1

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Basic Information
CAS No.: 5122-36-1
Name: 4,6-DIAMINO-5-(FORMYLAMINO)-PYRIMIDINE
Article Data: 11
Molecular Structure:
Molecular Structure of 5122-36-1 (4,6-DIAMINO-5-(FORMYLAMINO)-PYRIMIDINE)
Formula: C5H7N5O
Molecular Weight: 153.143
Synonyms: 4,6-Diamino-5-(formylamino)pyrimidine;4,6-Diamino-5-formamidopyrimidine;
EINECS: 200-258-5
Density: 1.575 g/cm3
Boiling Point: 536.1 °C at 760 mmHg
Flash Point: 278 °C
PSA: 106.92000
LogP: 1.08060
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Specification

The Formamide, N-(4, 6-diamino-5-pyrimidinyl)-, with the CAS registry number 5122-36-1, is also known as 4, 6-Diamino-5-(formylamino)-pyrimidine. It belongs to the product categories of Biochemicals and Reagents; Nucleoside Analogs; Nucleosides, Nucleotides, Oligonucleotides. This chemical's molecular formula is C5H7N5O and molecular weight is 153.14. What's more, its IUPAC name is N-(4, 6-Diaminopyrimidin-5-yl)formamide. In addition, it must be stored at -20 °C. Besides, this chemical can be formed when adenine is exposed to ionizing radiation.

Physical properties about Formamide, N-(4, 6-diamino-5-pyrimidinyl)- are: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.63; (4)ACD/LogD (pH 7.4): -0.54; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 9.88; (8)ACD/KOC (pH 7.4): 12.09; (9)#H bond acceptors: 6; (10)#H bond donors: 5; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 52.57 Å2; (13)Index of Refraction: 1.777; (14)Molar Refractivity: 40.7 cm3; (15)Molar Volume: 97.2 cm3; (16)Polarizability: 16.13×10-24 cm3; (17)Surface Tension: 110.2 dyne/cm; (18)Density: 1.575 g/cm3; (19)Flash Point: 278 °C; (20)Enthalpy of Vaporization: 81.27 kJ/mol; (21)Boiling Point: 536.1 °C at 760 mmHg; (22)Vapour Pressure: 1.44E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=CNc1c(ncnc1N)N
(2) InChI: InChI=1/C5H7N5O/c6-4-3(10-2-11)5(7)9-1-8-4/h1-2H,(H,10,11)(H4,6,7,8,9)
(3) InChIKey: MVYUVUOSXNYQLL-UHFFFAOYAR