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2,4,5-Pyrimidinetriamine,6-chloro- (1194-78-1)

Identification
Name:2,4,5-Pyrimidinetriamine,6-chloro-
Synonyms:Pyrimidine,2,4,5-triamino-6-chloro- (7CI,8CI);2,4,5-Triamino-6-chloropyrimidine;
CAS:1194-78-1
Molecular Formula: C4H6ClN5
Molecular Weight: 159.58
InChI: InChI=1/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
Molecular Structure: (C4H6ClN5) Pyrimidine,2,4,5-triamino-6-chloro- (7CI,8CI);2,4,5-Triamino-6-chloropyrimidine;
Properties
Density:1.685g/cm3
Refractive index:1.788
Specification:

The 2,4,5-Triamino-6-chloropyrimidine, with CAS registry number 1194-78-1, belongs to the following product category: Fine Chemical & Intermediates. It has the systematic name of 6-chloropyrimidine-2,4,5-triamine. Besides this, it is also called 2,4,5-pyrimidinetriamine, 6-chloro-. And the chemical formula of this chemical is C4H6ClN5.

Physical properties of 2,4,5-Triamino-6-chloropyrimidine: (1)ACD/LogP: -0.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): -0.29; (4)ACD/LogD (pH 7.4): -0.27; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 16.21; (8)ACD/KOC (pH 7.4): 17.08; (9)#H bond acceptors: 5; (10)#H bond donors: 6; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 35.5 Å2; (13)Index of Refraction: 1.788; (14)Molar Refractivity: 40.03 cm3; (15)Molar Volume: 94.6 cm3; (16)Polarizability: 15.87×10-24cm3; (17)Surface Tension: 113.3 dyne/cm; (18)Enthalpy of Vaporization: 74.44 kJ/mol; (19)Vapour Pressure: 2.25E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(nc(N)c1N)N
(2)InChI: InChI=1/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
(3)InChIKey: BMCHNFZLERXZBI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C4H6ClN5/c5-2-1(6)3(7)10-4(8)9-2/h6H2,(H4,7,8,9,10)
(5)Std. InChIKey: BMCHNFZLERXZBI-UHFFFAOYSA-N

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