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4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde

4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde - CAS 185040-32-8

Catalog:	BB014183
Product Name:	4-(Methylamino)-2-(methylthio)pyrimidine-5-carbaldehyde
CAS:	185040-32-8
Synonyms:	4-(methylamino)-2-(methylthio)-5-pyrimidinecarboxaldehyde; 4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-(methylamino)-2-methylsulfanylpyrimidine-5-carbaldehyde
Description:	Intermediate in the preparation of p38 kinase inhibitors.
Molecular Weight:	183.23
Molecular Formula:	C7H9N3OS
Canonical SMILES:	CNC1=NC(=NC=C1C=O)SC
InChI:	InChI=1S/C7H9N3OS/c1-8-6-5(4-11)3-9-7(10-6)12-2/h3-4H,1-2H3,(H,8,9,10)
InChI Key:	WGUCZWYLSKPURM-UHFFFAOYSA-N
Boiling Point:	377.054 °C at 760 mmHg
Density:	1.278 g/cm³
LogP:	1.12570

Publication Number	Title	Priority Date
KR-20210092358-A	7-amino-3,4-dihydropyrimido pyrimidin-2-one derivatives as protein kinase inhibitors and pharmaceutical compositions for treating disease containing the same	20200115
WO-2021145520-A1	7-amino-3,4-dihydropyrimidopyrimidin-2-one derivative having inhibitory activity for protein kinases and therapeutic pharmaceutical composition comprising same	20200115
CN-112079830-A	Fused ring-containing derivative inhibitor, preparation method and application thereof	20190614
WO-2020232190-A1	Protein kinase inhibitors and uses thereof for the treatment of diseases and conditions	20190516
CN-109384790-A	Fibroblast growth factor acceptor inhibitor and application thereof	20170808

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Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.04663309
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.04663309
Rotatable Bond Count:	3
Topological Polar Surface Area:	80.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4