4,6-Diaminopyrimidine - CAS 2434-56-2

Catalog:	BB018426
Product Name:	4,6-Diaminopyrimidine
CAS:	2434-56-2
Synonyms:	pyrimidine-4,6-diamine; pyrimidine-4,6-diamine

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Computed Properties

IUPAC Name:	pyrimidine-4,6-diamine
Description:	4,6-Diaminopyrimidine (CAS# 2434-56-2) is a compound used for the preparations of pharmaceutical goods. It was shown that organotin polyamines derived from reaction with 4,6-diaminopyrimidines displayed good inhibition of two pancreatic cancer cell lines.
Molecular Weight:	110.12
Molecular Formula:	C4H6N4
Canonical SMILES:	C1=C(N=CN=C1N)N
InChI:	InChI=1S/C4H6N4/c5-3-1-4(6)8-2-7-3/h1-2H,(H4,5,6,7,8)
InChI Key:	MISVBCMQSJUHMH-UHFFFAOYSA-N
Boiling Point:	364 °C at 760 mmHg
Density:	1.368 g/cm³
LogP:	0.80340

Publication Number	Title	Priority Date
CN-112851587-A	Alkyne heterocyclic compound for treating cancer and preparation method and application thereof	20210121
CN-111793035-A	N4- (3-methoxyphenyl) -pyrimidinediamine targeted DDR1 inhibitor and preparation and application thereof	20200622
CN-111777592-B	N4- (2, 5-dimethoxyphenyl) -pyrimidinediamine targeted DDR1 inhibitor and preparation and application thereof	20200622
CN-111793035-B	N4- (3-methoxyphenyl) -pyrimidinediamine targeted DDR1 inhibitor and preparation and application thereof	20200622
WO-2021198956-A1	Compounds active towards nuclear receptors	20200331

PMID	Publication Date	Title	Journal
22223377	20120101	Synthesis, dihydrofolate reductase inhibition, anti-proliferative testing, and saturation transfer difference ¹H-NMR study of some new 2-substituted-4,6-diaminopyrimidine derivatives	Chemical & pharmaceutical bulletin
17398090	20070601	Dual M3 antagonists-PDE4 inhibitors. Part 2: Synthesis and SAR of 3-substituted azetidinyl derivatives	Bioorganic & medicinal chemistry letters
16439121	20060401	First dual M3 antagonists-PDE4 inhibitors: synthesis and SAR of 4,6-diaminopyrimidine derivatives	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	66.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.059246208
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	110.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	77.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5