5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one

C13H20N2O3 — CID 114197444

IUPAC5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-9-4-3-5-10(6-9)7-18-13-11(17-2)12(16)14-8-15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHNRPPMIBGWDDCR-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds4

About 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one

5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114197444) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one
PubChem CID114197444
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one
SMILESCOc1c(OCC2CCCC(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-9-4-3-5-10(6-9)7-18-13-11(17-2)12(16)14-8-15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyHNRPPMIBGWDDCR-UHFFFAOYSA-N
XLogP1.98
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.98
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-(4-methylcyclohexyl)oxy-1H-pyrimidin-6-one
CID 103240632
4-(2-ethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103240644
5-methoxy-4-(4-methylpentan-2-yloxy)-1H-pyrimidin-6-one
CID 103240729
4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 103241713

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one (CID 114197444) is 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one is COc1c(OCC2CCCC(C)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is HNRPPMIBGWDDCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-9-4-3-5-10(6-9)7-18-13-11(17-2)12(16)14-8-15-13/h8-10H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one?
5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[(3-methylcyclohexyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114197444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).