4-Amino-2-methylpyrimidine-5-carbonitrile - CAS 698-29-3

Catalog:	BB033989
Product Name:	4-Amino-2-methylpyrimidine-5-carbonitrile
CAS:	698-29-3
Synonyms:	4-amino-2-methyl-5-pyrimidinecarbonitrile; 4-amino-2-methylpyrimidine-5-carbonitrile

Technical Data

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Computed Properties

IUPAC Name:	4-amino-2-methylpyrimidine-5-carbonitrile
Description:	4-Amino-2-methylpyrimidine-5-carbonitrile (CAS# 698-29-3) is a compound useful in organic synthesis.
Molecular Weight:	134.14
Molecular Formula:	C6H6N4
Canonical SMILES:	CC1=NC=C(C(=N1)N)C#N
InChI:	InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)
InChI Key:	YBPNIILOUYAGIF-UHFFFAOYSA-N
Boiling Point:	315.6 °C at 760 mmHg
Density:	1.27 g/cm³
LogP:	0.82008

Publication Number	Title	Priority Date
CN-113121449-A	Full continuous flow preparation method of 2-methyl-4-amino-5-aminomethyl pyrimidine	20210401
CN-112851588-A	Micro-reaction system and method for continuously preparing 2-methyl-4-amino-5-cyanopyrimidine by using same	20210128
CN-112341395-A	Micro-reaction system and method for continuously preparing 2-methyl-4-amino-5-aminomethyl pyrimidine by using same	20201108
CN-111018836-A	Pyrimidine preparation with synergistic sulfonamide effect and preparation method thereof	20191231
JP-2021506313-A	Divalent nucleic acid ligand and its use	20171221

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	134.059246208
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	134.059246208
Rotatable Bond Count:	0
Topological Polar Surface Area:	75.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5