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

4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde - CAS 770-31-0

Name: 4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035787
Product Name:	4-Amino-2-(methylthio)pyrimidine-5-carbaldehyde
CAS:	770-31-0
Synonyms:	4-amino-2-(methylthio)-5-pyrimidinecarboxaldehyde; 4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	4-amino-2-methylsulfanylpyrimidine-5-carbaldehyde
Description:	Used for the preparation of pyridopyrimidines and naphthyridines as inhibitors of Akt kinase for the treatment of cancer.
Molecular Weight:	169.20
Molecular Formula:	C6H7N3OS
Canonical SMILES:	CSC1=NC=C(C(=N1)N)C=O
InChI:	InChI=1S/C6H7N3OS/c1-11-6-8-2-4(3-10)5(7)9-6/h2-3H,1H3,(H2,7,8,9)
InChI Key:	FGONQMFYFJRAIG-UHFFFAOYSA-N
Boiling Point:	379.7 °C at 760 mmHg
Density:	1.37 g/cm³
MDL:	MFCD08669438
LogP:	1.17440

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[51493-02-8]C5H10ClNO
N-Methyl-N-propylcarbamoyl Chloride
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

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Publication Number	Title	Priority Date
CN-112142733-A	Synthetic route of pan FGFR covalent inhibitor PRN1371	20201016
US-2021188844-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021108803-A1	Fused pyrimidine pyridinone compounds as jak inhibitors	20191126
WO-2021003314-A1	Heterocyclic compounds as kinase inhibitors	20190702
CN-112079830-A	Fused ring-containing derivative inhibitor, preparation method and application thereof	20190614

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	169.03098303
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	169.03098303
Rotatable Bond Count:	2
Topological Polar Surface Area:	94.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7