4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one

C16H24N2O2 — CID 136964163

IUPAC4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-16(9-5-2-6-10-16)15-17-13(11-14(19)18-15)12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,17,18,19)
InChIKeyHWGYRZJTDWUQQG-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.23
Rot. Bonds3

About 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one

4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (PubChem CID 136964163) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
PubChem CID136964163
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
SMILESCOC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-20-16(9-5-2-6-10-16)15-17-13(11-14(19)18-15)12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,17,18,19)
InChIKeyHWGYRZJTDWUQQG-UHFFFAOYSA-N
XLogP3.23
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286
4-cyclopropyl-2-(1-ethoxycyclohexyl)-1H-pyrimidin-6-one
CID 136963776
2-(1-methoxycycloheptyl)-4-methyl-1H-pyrimidin-6-one
CID 136963554
4-amino-2-(1-methoxycyclopentyl)-1H-pyrimidin-6-one
CID 136773806
4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705665
6-cyclopentyl-2-(1-methoxycyclopentyl)-1H-pyrimidine-4-thione
CID 106481818
2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963567
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
CID 136729563
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one (CID 136964163) is 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is COC1(c2nc(C3CCCC3)cc(=O)[nH]2)CCCCC1.
What is the InChIKey of 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
The InChIKey is HWGYRZJTDWUQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-20-16(9-5-2-6-10-16)15-17-13(11-14(19)18-15)12-7-3-4-8-12/h11-12H,2-10H2,1H3,(H,17,18,19).
What are the key properties of 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one?
4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136964163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).