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

C15H23N3O2 — CID 136941133

IUPAC2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNCC2)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-13(10-5-3-2-4-6-10)14-17-12-7-8-16-9-11(12)15(19)18-14/h10,13,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyFRGLGMBIYVQHAJ-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.68
Rot. Bonds3

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

2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941133) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941133
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCOC(c1nc2c(c(=O)[nH]1)CNCC2)C1CCCCC1
InChIInChI=1S/C15H23N3O2/c1-20-13(10-5-3-2-4-6-10)14-17-12-7-8-16-9-11(12)15(19)18-14/h10,13,16H,2-9H2,1H3,(H,17,18,19)
InChIKeyFRGLGMBIYVQHAJ-UHFFFAOYSA-N
XLogP1.68
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[Cyclohexyl(methoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696256
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-[cyclopropyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941134
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-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941133) is 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is COC(c1nc2c(c(=O)[nH]1)CNCC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FRGLGMBIYVQHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-20-13(10-5-3-2-4-6-10)14-17-12-7-8-16-9-11(12)15(19)18-14/h10,13,16H,2-9H2,1H3,(H,17,18,19).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).