6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one

C11H15ClN2O2 — CID 114585123

IUPAC6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCCCC2)c1=O
InChIInChI=1S/C11H15ClN2O2/c1-16-9-10(12)13-7-14(11(9)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyRSDYACVKPDJUIE-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.41
Rot. Bonds2

About 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one

6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one (PubChem CID 114585123) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one
PubChem CID114585123
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one
SMILESCOc1c(Cl)ncn(C2CCCCC2)c1=O
InChIInChI=1S/C11H15ClN2O2/c1-16-9-10(12)13-7-14(11(9)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3
InChIKeyRSDYACVKPDJUIE-UHFFFAOYSA-N
XLogP2.41
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one?
The IUPAC name of 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one (CID 114585123) is 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one?
The canonical SMILES for 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one is COc1c(Cl)ncn(C2CCCCC2)c1=O.
What is the InChIKey of 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one?
The InChIKey is RSDYACVKPDJUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-16-9-10(12)13-7-14(11(9)15)8-5-3-2-4-6-8/h7-8H,2-6H2,1H3.
What are the key properties of 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one?
6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one has a molecular weight of 242.71 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-cyclohexyl-5-methoxypyrimidin-4-one is sourced from PubChem (CID 114585123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).