4,5-Diamino-6-methylpyrimidine Hydrochloride - CAS 1797132-20-7

Catalog:	BB068242
Product Name:	4,5-Diamino-6-methylpyrimidine Hydrochloride
CAS:	1797132-20-7
Synonyms:	4,5-Diamino-6-methyl-pyrimidine Hydrochloride; NSC 122008 Hydrochloride

Technical Data

IUPAC Name:	6-methylpyrimidine-4,5-diaminehydrochloride
Description:	4,5-Diamino-6-methylpyrimidine is useful for the preparation of purine derivatives as NR2B negative modulators for treating depressive disorders.
Molecular Weight:	124.14 + 36.46
Molecular Formula:	C5H8N4·HCl
Canonical SMILES:	CC1=C(C(=NC=N1)N)N.Cl
InChI:	InChI=1S/C5H8N4.ClH/c1-3-4(6)5(7)9-2-8-3/h2H,6H2,1H3,(H2,7,8,9)1H
InChI Key:	RDEAIXCQHPPMRE-UHFFFAOYSA-N
Melting Point:	219-222°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Light Orange Solid
Storage:	Hygroscopic, -20°C Freezer, Under inert atmosphere
References:	Giovannini, R., & Wiedenmayer, D. PCT Int. Appl. (2020), WO 2020245136 A1.

Complexity:	95
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.051574
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	160.051574
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0