5H-Pyrrolo[3,2-d]pyrimidin-4-amine supplier

Name
5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI)
EINECS 1533716-785-6
CAS No. 2227-98-7
Article Data8
CAS DataBase
Density 1.48 g/cm³
Solubility
Melting Point 235-237 °C
Formula C₆H₆N₄
Boiling Point 399.8 °C at 760 mmHg
Molecular Weight 134.14
Flash Point 224.4 °C
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Molecular Structure
Hazard Symbols
Synonyms 5H-Pyrrolo[3,2-d]pyrimidine,4-amino-(7CI,8CI);NSC 89405;4-Aminopyrrolo[3,2-d]pyrimidine;
PSA 67.59000
LogP 1.12130

5H-Pyrrolo[3,2-d]pyrimidin-4-amine Specification

The IUPAC name of this chemical is 5H-pyrrolo[3,2-d]pyrimidin-4-amine. It belongs to the class of Pyrimidine. With the CAS registry number 2227-98-7, it is also called 4-Aminopyrrolo[3,2-d]pyrimidine. In addition, the formula is C₆H₆N₄ and the molecular weight is 134.13864.

Physical properties about this chemical are: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.98; (4)ACD/LogD (pH 7.4): -0.29; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.33; (8)ACD/KOC (pH 7.4): 16.1; (9)#H bond acceptors: 4; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 33.95 Å²; (13)Index of Refraction: 1.806; (14)Molar Refractivity: 38.94 cm³; (15)Molar Volume: 90.5 cm³; (16)Polarizability: 15.43 ×10^-24cm³; (17)Surface Tension: 97.7 dyne/cm; (18)Density: 1.48 g/cm³; (19)Flash Point: 224.4 °C; (20)Enthalpy of Vaporization: 65.06 kJ/mol; (21)Boiling Point: 399.8 °C at 760 mmHg; (22)Vapour Pressure: 1.33E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c(c2c(nc1)ccn2)N
(2)InChI: InChI=1/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
(3)InChIKey: YRVFQPBPZCRUDX-UHFFFAOYAB

Product Name

5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI)

5H-Pyrrolo[3,2-d]pyrimidin-4-amine Specification

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