5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one

C11H15ClN2O2 — CID 114676077

IUPAC5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCCCC1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-4-2-3-5-8(7)16-11-9(12)10(15)13-6-14-11/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyYRFKTGWURSBXHQ-UHFFFAOYSA-N
MW242.71 g/mol
LogP2.38
Rot. Bonds2

About 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one

5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one (PubChem CID 114676077) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
PubChem CID114676077
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one
SMILESCC1CCCCC1Oc1nc[nH]c(=O)c1Cl
InChIInChI=1S/C11H15ClN2O2/c1-7-4-2-3-5-8(7)16-11-9(12)10(15)13-6-14-11/h6-8H,2-5H2,1H3,(H,13,14,15)
InChIKeyYRFKTGWURSBXHQ-UHFFFAOYSA-N
XLogP2.38
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one (CID 114676077) is 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one is CC1CCCCC1Oc1nc[nH]c(=O)c1Cl.
What is the InChIKey of 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
The InChIKey is YRFKTGWURSBXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-7-4-2-3-5-8(7)16-11-9(12)10(15)13-6-14-11/h6-8H,2-5H2,1H3,(H,13,14,15).
What are the key properties of 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one?
5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one has a molecular weight of 242.71 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2-methylcyclohexyl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114676077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).