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

C14H15N3O3 — CID 128999759

IUPAC3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1occc1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C14H15N3O3/c1-9-10(4-6-20-9)14(19)17-5-3-11-12(7-17)15-8-16(2)13(11)18/h4,6,8H,3,5,7H2,1-2H3
InChIKeyPOSDFHNWUPCZME-UHFFFAOYSA-N
MW273.29 g/mol
LogP0.88
Rot. Bonds1

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

3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 128999759) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID128999759
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCc1occc1C(=O)N1CCc2c(ncn(C)c2=O)C1
InChIInChI=1S/C14H15N3O3/c1-9-10(4-6-20-9)14(19)17-5-3-11-12(7-17)15-8-16(2)13(11)18/h4,6,8H,3,5,7H2,1-2H3
InChIKeyPOSDFHNWUPCZME-UHFFFAOYSA-N
XLogP0.88
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

7-(1H-indazole-3-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 154745769
3-methyl-7-(5-propan-2-ylthiophene-2-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999775
7-(3-methoxythiophene-2-carbonyl)-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999810
7-[(1R,2S)-2-cyclohexylcyclopropanecarbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129338200
3-methyl-7-(2-methyl-3-thiophen-2-ylpropanoyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 128999803
7-[(2R,5R)-5-ethyloxolane-2-carbonyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 129341830
(2-methylfuran-3-yl)-[5-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-2,7-naphthyridin-2-yl]methanone
CID 97406098
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
[4-(2-methylfuran-3-carbonyl)-1,4-diazepan-1-yl]-pyridin-4-ylmethanone
CID 86991537
(3-hydroxyazetidin-1-yl)-(2-methylfuran-3-yl)methanone
CID 63105467
(2-methylfuran-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47024442
[4-(2-bromoethyl)piperazin-1-yl]-(2-methylfuran-3-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 128999759) is 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is Cc1occc1C(=O)N1CCc2c(ncn(C)c2=O)C1.
What is the InChIKey of 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is POSDFHNWUPCZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-9-10(4-6-20-9)14(19)17-5-3-11-12(7-17)15-8-16(2)13(11)18/h4,6,8H,3,5,7H2,1-2H3.
What are the key properties of 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 273.29 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-(2-methylfuran-3-carbonyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 128999759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).