2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

C8H11N3O — CID 140735915

IUPAC2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC1=NC2=NCCCC2C(=O)N1
InChIInChI=1S/C8H11N3O/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h6H,2-4H2,1H3,(H,9,10,11,12)
InChIKeyAAPKZCNBNYRILH-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.34
Rot. Bonds

About 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one

2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 140735915) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID140735915
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCC1=NC2=NCCCC2C(=O)N1
InChIInChI=1S/C8H11N3O/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h6H,2-4H2,1H3,(H,9,10,11,12)
InChIKeyAAPKZCNBNYRILH-UHFFFAOYSA-N
XLogP0.34
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-Dimethyl-3,4a,5,7,8,8a-hexahydropyrido[4,3-d]pyrimidin-4-one
CID 20666330
3-amino-N-(5-methyl-2,3,4,5-tetrahydropyridin-6-yl)propanamide
CID 91076526
4-methyl-2-pentan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 123410253
4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137229679
2-butan-2-yl-4,5-dihydro-1H-pyrimidin-6-one
CID 164053355
2-methyl-5-(2-methylpropyl)-1H-pyrimidine-4,6-dione
CID 74447507
2-(2-aminoethyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998159
2-piperidin-3-yl-5-propyl-1H-pyrimidine-4,6-dione
CID 76998266
2-(3-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998269
2-(2-aminopropyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998276
2-(1-aminopropan-2-yl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998372
2-(2-aminobutyl)-5-propyl-1H-pyrimidine-4,6-dione
CID 76998508

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 140735915) is 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is CC1=NC2=NCCCC2C(=O)N1.
What is the InChIKey of 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is AAPKZCNBNYRILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-5-10-7-6(8(12)11-5)3-2-4-9-7/h6H,2-4H2,1H3,(H,9,10,11,12).
What are the key properties of 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 165.20 g/mol, XLogP of 0.34, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4a,5,6,7-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 140735915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).