6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C16H20N4O2S — CID 135992014

IUPAC6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1cc(C)c(CCC2CNc3nc(N)[nH]c(=O)c3C2)s1
InChIInChI=1S/C16H20N4O2S/c1-8-5-13(9(2)21)23-12(8)4-3-10-6-11-14(18-7-10)19-16(17)20-15(11)22/h5,10H,3-4,6-7H2,1-2H3,(H4,17,18,19,20,22)
InChIKeyXHUROQSAUNDBPX-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.14
Rot. Bonds4

About 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135992014) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135992014
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC Name6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC(=O)c1cc(C)c(CCC2CNc3nc(N)[nH]c(=O)c3C2)s1
InChIInChI=1S/C16H20N4O2S/c1-8-5-13(9(2)21)23-12(8)4-3-10-6-11-14(18-7-10)19-16(17)20-15(11)22/h5,10H,3-4,6-7H2,1-2H3,(H4,17,18,19,20,22)
InChIKeyXHUROQSAUNDBPX-UHFFFAOYSA-N
XLogP2.14
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-N-[(3S)-2,6-dioxoheptan-3-yl]-4-methylthiophene-2-carboxamide
CID 135992025
5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-N-[(3S)-2,6-dioxoheptan-3-yl]-4-methylthiophene-2-carboxamide;(2S)-2-[[5-[2-[(6S)-2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl]ethyl]-4-methylthiophene-2-carbonyl]amino]pentanedioic acid;methane
CID 160651450
5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid
CID 135467755
ethyl 2-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]acetate
CID 135848320
2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 155782338
2-amino-6-[2-(5-methylfuran-2-yl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one;ethane
CID 155782337
(6R)-2-amino-6-[2-(4-tert-butylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 166563301
(6R)-2-amino-6-[2-(4-propan-2-ylphenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 167287833
(6S)-2-amino-6-[2-(4-bromophenyl)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135470396
methyl 1-[[5-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-2-carbonyl]amino]cyclopropane-1-carboxylate
CID 135548177
2-methylpropyl 4-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]benzoate
CID 135444644
(2S)-2-[[2-[2-(2-amino-4-oxo-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-6-yl)ethyl]thiophene-3-carbonyl]amino]pentanedioic acid
CID 135977978

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135992014) is 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC(=O)c1cc(C)c(CCC2CNc3nc(N)[nH]c(=O)c3C2)s1.
What is the InChIKey of 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is XHUROQSAUNDBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-8-5-13(9(2)21)23-12(8)4-3-10-6-11-14(18-7-10)19-16(17)20-15(11)22/h5,10H,3-4,6-7H2,1-2H3,(H4,17,18,19,20,22).
What are the key properties of 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 332.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-acetyl-3-methylthiophen-2-yl)ethyl]-2-amino-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135992014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).