8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one

C13H12N4OS — CID 5328644

IUPAC8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccsc3)c(=O)n(C)c2n1
InChIInChI=1S/C13H12N4OS/c1-14-13-15-6-9-5-10(8-3-4-19-7-8)12(18)17(2)11(9)16-13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOWXIAWYKCZYZSJ-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.10
Rot. Bonds2

About 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one

8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328644) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328644
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3ccsc3)c(=O)n(C)c2n1
InChIInChI=1S/C13H12N4OS/c1-14-13-15-6-9-5-10(8-3-4-19-7-8)12(18)17(2)11(9)16-13/h3-7H,1-2H3,(H,14,15,16)
InChIKeyOWXIAWYKCZYZSJ-UHFFFAOYSA-N
XLogP2.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-ethyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328648
8-methyl-2-(phenylamino)-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328638
Pyrido[2,3-d]pyrimidin-7-one deriv. 27
CID 5328640
8-methyl-2-(phenylamino)-6-(thiophen-2-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328645
N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
2-{4-[(5-Methyl-3-thienyl)carbonyl]-1-piperazinyl}pyrimidine
CID 1246450
N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide
CID 2434569
2-(Ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
CID 3233413
2-(Ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
CID 3234227
N-[2-(4-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 3711254
(3-Methylthiophen-2-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 17398754
2-amino-8-methyl-6-(thiophen-3-yl)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5328643

Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one (CID 5328644) is 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3ccsc3)c(=O)n(C)c2n1.
What is the InChIKey of 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is OWXIAWYKCZYZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-14-13-15-6-9-5-10(8-3-4-19-7-8)12(18)17(2)11(9)16-13/h3-7H,1-2H3,(H,14,15,16).
What are the key properties of 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one?
8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 272.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-(methylamino)-6-thiophen-3-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).