2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

C9H11N3O — CID 14916840

IUPAC2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)NC(=O)CC2
InChIInChI=1S/C9H11N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyCXVCPPQCXTUFQC-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.98
Rot. Bonds

About 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one

2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 14916840) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID14916840
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one
SMILESCc1nc(C)c2c(n1)NC(=O)CC2
InChIInChI=1S/C9H11N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H2,1-2H3,(H,10,11,12,13)
InChIKeyCXVCPPQCXTUFQC-UHFFFAOYSA-N
XLogP0.98
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]propan-1-one
CID 71696040
[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-cyclobutylmethanone
CID 89752448
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]ethanone
CID 89752453
1-[2-amino-4-(butylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]-2-methylpropan-1-one
CID 71696042
4,8-Dimethyl-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 73439379
2-(dimethylamino)-N-methyl-N-[[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]acetamide
CID 95831108
4-Methyl-8-(2-methylpropyl)-2-pyrrolidin-3-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110248555
2-[2-(4,8-dimethyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl)pyrrolidin-1-yl]-N,N-diethylacetamide
CID 110260957
Cyclohexyl-[3-[4-(methylamino)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110262142
8-(Cyclohexylmethyl)-2,4-dimethyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193766
4-[(2-Amino-6-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)methyl]piperidine-2,6-dione
CID 278298
4-Methyl-8-propyl-5H,6H,7H,8H-pyrido[2,3-D]pyrimidin-7-one
CID 53193732

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one (CID 14916840) is 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is Cc1nc(C)c2c(n1)NC(=O)CC2.
What is the InChIKey of 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CXVCPPQCXTUFQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-5-7-3-4-8(13)12-9(7)11-6(2)10-5/h3-4H2,1-2H3,(H,10,11,12,13).
What are the key properties of 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one?
2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 177.21 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6,8-dihydro-5H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 14916840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).