2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C14H21N3O — CID 135861547

IUPAC2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2nc(C3CCCCC3)[nH]c(=O)c2C1
InChIInChI=1S/C14H21N3O/c1-17-8-7-12-11(9-17)14(18)16-13(15-12)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyKKQYBRWJEZULTR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.81
Rot. Bonds1

About 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861547) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861547
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCN1CCc2nc(C3CCCCC3)[nH]c(=O)c2C1
InChIInChI=1S/C14H21N3O/c1-17-8-7-12-11(9-17)14(18)16-13(15-12)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyKKQYBRWJEZULTR-UHFFFAOYSA-N
XLogP1.81
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-Prop-1-en-2-ylcyclohexen-1-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860817
2-(3,3-difluorocyclohexyl)-4-ethyl-5-methyl-1H-pyrimidin-6-one
CID 137010982
7-(Cyclohexylmethyl)-2-methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865784
6-Cyclohexyl-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136108107
6-(Cyclohexylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136707124
2-[1-(2,2-Dimethylpropanoyl)piperidin-3-yl]-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136795637
14-Methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9-dien-2-one
CID 13815434
2-Butyl-6-(2,2-dimethyl-1-oxopropyl)-5,6,7,8-tetrahydro-pyrido[4,3-d]pyrimidin-4(3H)-one
CID 135674970
6-Acetyl-2-butyl-5,6,7,8-tetrahydro-pyrido-[4,3-d]pyrimidin-4(3H)-one
CID 136014034
2-[2-(Dimethylamino)ethyl]-6,6-dimethyl-3,5,7,8-tetrahydroquinazolin-4-one
CID 136378557
6-[(4-Methylcyclohexyl)methyl]-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-2-thiolate
CID 140917757
4-(2-aminocyclohexyl)-5-ethyl-2-methyl-1H-pyrimidin-6-one
CID 174592048

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861547) is 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CN1CCc2nc(C3CCCCC3)[nH]c(=O)c2C1.
What is the InChIKey of 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KKQYBRWJEZULTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-17-8-7-12-11(9-17)14(18)16-13(15-12)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,15,16,18).
What are the key properties of 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 247.34 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).