5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one

C12H18N2O3 — CID 103240632

IUPAC5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCC(C)CC2)nc[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-8-3-5-9(6-4-8)17-12-10(16-2)11(15)13-7-14-12/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyJVZLQCPITKNEJR-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.74
Rot. Bonds3

About 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one

5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 103240632) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID103240632
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCC(C)CC2)nc[nH]c1=O
InChIInChI=1S/C12H18N2O3/c1-8-3-5-9(6-4-8)17-12-10(16-2)11(15)13-7-14-12/h7-9H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyJVZLQCPITKNEJR-UHFFFAOYSA-N
XLogP1.74
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-octan-2-yloxy-1H-pyrimidin-6-one
CID 103240414
4-heptoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240423
5-methoxy-4-(3,3,5-trimethylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240443
5-methoxy-4-(4-methylpentoxy)-1H-pyrimidin-6-one
CID 103240473
4-hexoxy-5-methoxy-1H-pyrimidin-6-one
CID 103240492
5-methoxy-4-octoxy-1H-pyrimidin-6-one
CID 103240505
5-methoxy-4-(3-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240514
4-cyclohexyloxy-5-methoxy-1H-pyrimidin-6-one
CID 103240534
5-methoxy-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 103240608
5-amino-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240629
4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240634
4-(2-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103240644

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 103240632) is 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one is COc1c(OC2CCC(C)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is JVZLQCPITKNEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-3-5-9(6-4-8)17-12-10(16-2)11(15)13-7-14-12/h7-9H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103240632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).