4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one

C13H20N2O3 — CID 103241713

IUPAC4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCC(C)C(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8-4-5-10(6-9(8)2)18-13-11(17-3)12(16)14-7-15-13/h7-10H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyHRJLNUNNLHKZSN-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.98
Rot. Bonds3

About 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one

4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241713) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241713
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCC(C)C(C)C2)nc[nH]c1=O
InChIInChI=1S/C13H20N2O3/c1-8-4-5-10(6-9(8)2)18-13-11(17-3)12(16)14-7-15-13/h7-10H,4-6H2,1-3H3,(H,14,15,16)
InChIKeyHRJLNUNNLHKZSN-UHFFFAOYSA-N
XLogP1.98
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one (CID 103241713) is 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one is COc1c(OC2CCC(C)C(C)C2)nc[nH]c1=O.
What is the InChIKey of 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is HRJLNUNNLHKZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-8-4-5-10(6-9(8)2)18-13-11(17-3)12(16)14-7-15-13/h7-10H,4-6H2,1-3H3,(H,14,15,16).
What are the key properties of 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one?
4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 252.31 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylcyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).