2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one

C15H24N2O2 — CID 136963580

IUPAC2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C15H24N2O2/c1-4-5-12-10-13(18)17-14(16-12)15(19-3)8-6-11(2)7-9-15/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyAVZPFSYETQCMJU-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.77
Rot. Bonds4

About 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one

2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one (PubChem CID 136963580) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
PubChem CID136963580
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(C2(OC)CCC(C)CC2)n1
InChIInChI=1S/C15H24N2O2/c1-4-5-12-10-13(18)17-14(16-12)15(19-3)8-6-11(2)7-9-15/h10-11H,4-9H2,1-3H3,(H,16,17,18)
InChIKeyAVZPFSYETQCMJU-UHFFFAOYSA-N
XLogP2.77
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(1-methoxy-4-methylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963834
2-(1-methoxy-4-methylcyclohexyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475066
4-hydroxy-2-(1-methoxy-4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 113559533
2-(2-methyloxan-2-yl)-4-propyl-1H-pyrimidin-6-one
CID 136287884
4-tert-butyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287886
4-ethyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287887
2-(2-methyloxan-2-yl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136287889
4-cyclopropyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287909
2-(2-methyloxan-2-yl)-4-(2-methylpropyl)-1H-pyrimidin-6-one
CID 136287917
4-cyclopentyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136729567
4-cyclopentyl-2-(2-methyloxolan-2-yl)-1H-pyrimidin-6-one
CID 136729590
2-(1-methoxycyclopentyl)-4-propyl-1H-pyrimidin-6-one
CID 136773812

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one (CID 136963580) is 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(C2(OC)CCC(C)CC2)n1.
What is the InChIKey of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is AVZPFSYETQCMJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-4-5-12-10-13(18)17-14(16-12)15(19-3)8-6-11(2)7-9-15/h10-11H,4-9H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one?
2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 264.37 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-4-methylcyclohexyl)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136963580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).