2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C15H23N3O2 — CID 136941197

IUPAC2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CNCC3)CCCC(C)C1
InChIInChI=1S/C15H23N3O2/c1-10-4-3-6-15(8-10,20-2)14-17-12-5-7-16-9-11(12)13(19)18-14/h10,16H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyAUAORLJHOWLSQJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.47
Rot. Bonds2

About 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941197) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941197
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CNCC3)CCCC(C)C1
InChIInChI=1S/C15H23N3O2/c1-10-4-3-6-15(8-10,20-2)14-17-12-5-7-16-9-11(12)13(19)18-14/h10,16H,3-9H2,1-2H3,(H,17,18,19)
InChIKeyAUAORLJHOWLSQJ-UHFFFAOYSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

5-[1-[(1-hydroxy-3-methylcyclohexyl)methylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136246650
2-(1-ethoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941032
2-(1-methoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941084
2-(1-methoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941104
2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941105
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941127
2-(1-methoxy-4,4-dimethylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941131
2-(1-ethoxycycloheptyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941132
2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941133
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941136
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941159
2-(1-methoxycyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941161

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941197) is 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)CNCC3)CCCC(C)C1.
What is the InChIKey of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AUAORLJHOWLSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-4-3-6-15(8-10,20-2)14-17-12-5-7-16-9-11(12)13(19)18-14/h10,16H,3-9H2,1-2H3,(H,17,18,19).
What are the key properties of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).