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

C15H23N3O2 — CID 137017839

IUPAC2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CCCN3)CCCC(C)C1
InChIInChI=1S/C15H23N3O2/c1-10-5-3-7-15(9-10,20-2)14-17-12-11(13(19)18-14)6-4-8-16-12/h10H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyROILSIGEDYFRAR-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.18
Rot. Bonds2

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

2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 137017839) 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[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID137017839
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCOC1(c2nc3c(c(=O)[nH]2)CCCN3)CCCC(C)C1
InChIInChI=1S/C15H23N3O2/c1-10-5-3-7-15(9-10,20-2)14-17-12-11(13(19)18-14)6-4-8-16-12/h10H,3-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyROILSIGEDYFRAR-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

5-iodo-2-(1-methoxy-3-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
CID 136963915
2-(4-ethoxyoxan-4-yl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 137017835
5-(chloromethyl)-2-(1-methoxy-3-methylcyclohexyl)-1H-pyrimidin-6-one
CID 114205199
2-(1-ethoxy-3-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696180
2-(1-methoxycyclopentyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136773820
2-(1-methoxy-3-methylcyclohexyl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476786
2-(1-ethoxy-3-methylcyclohexyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 116745240
6-ethyl-2-(1-methoxy-3-methylcyclohexyl)-5-methyl-1H-pyrimidine-4-thione
CID 106478296
3-(1-methoxy-3-methylcyclohexyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116742790
4-hydroxy-5-iodo-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 116745253
2-(1-methoxy-2-methylpropyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one
CID 136965337
2-(1-ethoxy-3-methylcyclohexyl)-5-(2-hydroxyethyl)-4-methyl-1H-pyrimidin-6-one
CID 136963804

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one (CID 137017839) is 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one is COC1(c2nc3c(c(=O)[nH]2)CCCN3)CCCC(C)C1.
What is the InChIKey of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is ROILSIGEDYFRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-5-3-7-15(9-10,20-2)14-17-12-11(13(19)18-14)6-4-8-16-12/h10H,3-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(1-methoxy-3-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 277.37 g/mol, XLogP of 2.18, 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[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 137017839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).