2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C15H22N2O2 — CID 136696364

IUPAC2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC1(C)CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2)6-3-10(4-7-15)13-16-12-5-8-19-9-11(12)14(18)17-13/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyJRBNEJUAPDQERP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.53
Rot. Bonds1

About 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696364) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696364
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCC1(C)CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1
InChIInChI=1S/C15H22N2O2/c1-15(2)6-3-10(4-7-15)13-16-12-5-8-19-9-11(12)14(18)17-13/h10H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyJRBNEJUAPDQERP-UHFFFAOYSA-N
XLogP2.53
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-(3-Cyclopropylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 161304462
2-(4-Ethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696135
2-Cyclooctyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696199
2-(4-Tert-butylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696240
2-(2-Methylcyclopropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696241
2-Butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696247
2-[Cyclohexyl(methoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696256
2-Cyclohexyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696285
2-(2-Methylpropyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696286
2-(3-Methylbutyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696300
2-(4-Methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696302

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696364) is 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is CC1(C)CCC(c2nc3c(c(=O)[nH]2)COCC3)CC1.
What is the InChIKey of 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is JRBNEJUAPDQERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(2)6-3-10(4-7-15)13-16-12-5-8-19-9-11(12)14(18)17-13/h10H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 262.35 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).