4,6-Diaminopyrimidine-5-carbonitrile - CAS 109831-70-1

Catalog:	BB002549
Product Name:	4,6-Diaminopyrimidine-5-carbonitrile
CAS:	109831-70-1
Synonyms:	4,6-diamino-5-pyrimidinecarbonitrile; 4,6-diaminopyrimidine-5-carbonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	4,6-diaminopyrimidine-5-carbonitrile
Description:	4,6-Diaminopyrimidine-5-carbonitrile (CAS# 109831-70-1 ) is a useful research chemical.
Molecular Weight:	135.13
Molecular Formula:	C5H5N5
Canonical SMILES:	C1=NC(=C(C(=N1)N)C#N)N
InChI:	InChI=1S/C5H5N5/c6-1-3-4(7)9-2-10-5(3)8/h2H,(H4,7,8,9,10)
InChI Key:	BTVHLEVGNAQTBN-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
LogP:	0.02398

Publication Number	Title	Priority Date
CN-109666000-A	A kind of CGA 183893 impurity of the drug and its synthetic method, application	20181224
WO-2015168079-A1	Pyrimidine or pyridine derivatives useful as pi3k inhibitors	20140429
WO-2014015675-A1	Novel heteroaryl and heterocycle compounds, compositions and methods	20120727
WO-2014015830-A1	Novel heteroaryl and heterocycle compounds, composition and methods thereof	20120727
WO-2013152150-A1	Heterocyclic compounds and their uses	20120404

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Related Functional Groups

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[55877-31-1]
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[618-40-6]
1-Methyl-1-phenylhydrazine
[5724-76-5]
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

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Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	135.05449518
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	135.05449518
Rotatable Bond Count:	0
Topological Polar Surface Area:	102
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2