5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one

C11H15ClN2O2 — CID 114676390

IUPAC5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCCC2)c1Cl
InChIInChI=1S/C11H15ClN2O2/c12-9-10(15)13-7-14-11(9)16-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14,15)
InChIKeyQQZCSHUFDPLJLS-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.38
Rot. Bonds3

About 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one

5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114676390) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
PubChem CID114676390
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCC2CCCCC2)c1Cl
InChIInChI=1S/C11H15ClN2O2/c12-9-10(15)13-7-14-11(9)16-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14,15)
InChIKeyQQZCSHUFDPLJLS-UHFFFAOYSA-N
XLogP2.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one (CID 114676390) is 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCC2CCCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is QQZCSHUFDPLJLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c12-9-10(15)13-7-14-11(9)16-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,13,14,15).
What are the key properties of 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one?
5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(cyclohexylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).