3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C16H19N3O2S — CID 128999803

IUPAC3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(Cc1cccs1)C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C16H19N3O2S/c1-11(8-12-4-3-7-22-12)15(20)19-6-5-13-14(9-19)17-10-18(2)16(13)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyLJTMBRRTLDPMOX-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.61
Rot. Bonds3

About 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999803) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999803
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCC(Cc1cccs1)C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C16H19N3O2S/c1-11(8-12-4-3-7-22-12)15(20)19-6-5-13-14(9-19)17-10-18(2)16(13)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3
InChIKeyLJTMBRRTLDPMOX-UHFFFAOYSA-N
XLogP1.61
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999810
3-methyl-7-thiophen-2-ylsulfonyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999986
3-methyl-7-(5-propan-2-ylthiophene-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999775
1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 111560882
3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999759
(2R)-1-[(5S)-5-hydroxy-1,3,4,5-tetrahydro-2-benzazepin-2-yl]-2-methyl-3-thiophen-2-ylpropan-1-one
CID 97261393
3-methyl-1-(2-methyl-3-thiophen-2-ylpropanoyl)pyrrolidine-3-carboxylic acid
CID 119257607
(3R)-3-methyl-1-[(2R)-2-methyl-3-thiophen-2-ylpropanoyl]pyrrolidine-3-carboxylic acid
CID 124693497
(3R)-1-[(2S)-2-methyl-3-thiophen-2-ylpropanoyl]piperidine-3-carboxylic acid
CID 124576808
7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129341830
(3R)-3-methyl-4-thiophen-2-ylbutan-2-one
CID 59063213
N-(2,3-dihydro-1-benzofuran-3-yl)-3-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 128999864

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999803) is 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CC(Cc1cccs1)C(=O)N1CCc2c(ncn(C)c2=O)C1.
What is the InChIKey of 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is LJTMBRRTLDPMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-11(8-12-4-3-7-22-12)15(20)19-6-5-13-14(9-19)17-10-18(2)16(13)21/h3-4,7,10-11H,5-6,8-9H2,1-2H3.
What are the key properties of 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 317.41 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).