2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one

C18H14N4OS — CID 5328645

IUPAC2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2cccs2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H14N4OS/c1-22-16-12(10-14(17(22)23)15-8-5-9-24-15)11-19-18(21-16)20-13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21)
InChIKeyPUVJHDNOWHKNSB-UHFFFAOYSA-N
MW334.40 g/mol
LogP3.80
Rot. Bonds3

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

2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328645) has the molecular formula C18H14N4OS and a molecular weight of 334.40 g/mol. Its IUPAC name is 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328645
Molecular FormulaC18H14N4OS
Molecular Weight334.40 g/mol
Exact Mass334.09
IUPAC Name2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2cccs2)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C18H14N4OS/c1-22-16-12(10-14(17(22)23)15-8-5-9-24-15)11-19-18(21-16)20-13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21)
InChIKeyPUVJHDNOWHKNSB-UHFFFAOYSA-N
XLogP3.80
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 53.80
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
N-(3-((5-Iodo-4-((3-((2-thienylcarbonyl)amino)propyl)amino)-2-pyrimidinyl)amino)phenyl)-1-pyrrolidinecarboxamide
CID 10077147
N-(3-((5-Bromo-4-((3-(thiophene-2-carboxamido)propyl)amino)pyrimidin-2-yl)amino)phenyl)pyrrolidine-1-carboxamide
CID 10347359
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
N-[2-(3-pyridinyl)-4-pyrimidinyl]-2-thiophenecarboxamide
CID 1477562
4-(4-Methyl-3-oxo-3,4-dihydro-pyrido[2,3-b]pyrazin-2-ylamino)-N-thiophen-2-ylmethyl-benzamide
CID 11200159
N-[3-[[5-cyclopropyl-2-(2-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 44462961
N-(2-aminophenyl)-4-((4-(thiophen-3-yl)pyrimidin-2-ylamino)methyl)benzamide
CID 44570892
(S)-N-ethyl-N-(2-(1-phenylethylamino)pyrimidin-4-yl)benzo[b]thiophene-3-carboxamide
CID 46886502
N-[3-[[5-cyclopropyl-2-(3-fluoroanilino)pyrimidin-4-yl]amino]propyl]thiophene-2-carboxamide
CID 59225366
N-[2-[[2-[4-(4-methylpiperazin-1-yl)anilino]-5-thiophen-2-ylpyrimidin-4-yl]amino]phenyl]prop-2-enamide
CID 155415499

Frequently Asked Questions

What is the IUPAC name of 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one (CID 5328645) is 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2cccs2)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is PUVJHDNOWHKNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4OS/c1-22-16-12(10-14(17(22)23)15-8-5-9-24-15)11-19-18(21-16)20-13-6-3-2-4-7-13/h2-11H,1H3,(H,19,20,21).
What are the key properties of 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 334.40 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-8-methyl-6-thiophen-2-ylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).