2,5-Diaminopyrimidine - CAS 22715-27-1

Catalog:	BB017719
Product Name:	2,5-Diaminopyrimidine
CAS:	22715-27-1
Synonyms:	pyrimidine-2,5-diamine; pyrimidine-2,5-diamine

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Computed Properties

IUPAC Name:	pyrimidine-2,5-diamine
Description:	2,5-Diaminopyrimidine (CAS# 22715-27-1) is a useful research chemical.
Molecular Weight:	110.12
Molecular Formula:	C4H6N4
Canonical SMILES:	C1=C(C=NC(=N1)N)N
InChI:	InChI=1S/C4H6N4/c5-3-1-7-4(6)8-2-3/h1-2H,5H2,(H2,6,7,8)
InChI Key:	DNACGYGXUFTEHO-UHFFFAOYSA-N
Boiling Point:	401.7 °C at 760 mmHg
Density:	1.368 g/cm³
MDL:	MFCD00129726
LogP:	0.80340

Publication Number	Title	Priority Date
CN-112604713-A	Imine type covalent organic framework hexavalent chromium photocatalyst with pyridazine structure, preparation method and application thereof	20201229
CN-112978709-A	Carbon quantum dot precursor composition, carbon quantum dot and preparation method thereof	20191212
WO-2021115375-A1	Nitrogen-containing heterocyclic autotaxin inhibitor, and composition containing same and use thereof	20191211
WO-2021057853-A1	Aza-quinoline compounds and uses thereof	20190926
CN-110452355-A	A kind of selfreparing termite-resistant rodent-resistant polyurethane, preparation method and application	20190924

PMID	Publication Date	Title	Journal
24915291	20140626	Discovery of a series of 2,5-diaminopyrimidine covalent irreversible inhibitors of Bruton's tyrosine kinase with in vivo antitumor activity	Journal of medicinal chemistry
16010344	20050601	Biosynthesis of flavocoenzymes	Natural product reports

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	-0.8