6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one

C13H18N2O2 — CID 126857647

IUPAC6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1C1CCCCC1O
InChIInChI=1S/C13H18N2O2/c16-12-4-2-1-3-11(12)15-8-14-10(7-13(15)17)9-5-6-9/h7-9,11-12,16H,1-6H2
InChIKeyONMVSWWPOJHJNQ-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.60
Rot. Bonds2

About 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one

6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one (PubChem CID 126857647) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one
PubChem CID126857647
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one
SMILESO=c1cc(C2CC2)ncn1C1CCCCC1O
InChIInChI=1S/C13H18N2O2/c16-12-4-2-1-3-11(12)15-8-14-10(7-13(15)17)9-5-6-9/h7-9,11-12,16H,1-6H2
InChIKeyONMVSWWPOJHJNQ-UHFFFAOYSA-N
XLogP1.60
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one (CID 126857647) is 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one is O=c1cc(C2CC2)ncn1C1CCCCC1O.
What is the InChIKey of 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one?
The InChIKey is ONMVSWWPOJHJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-12-4-2-1-3-11(12)15-8-14-10(7-13(15)17)9-5-6-9/h7-9,11-12,16H,1-6H2.
What are the key properties of 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one?
6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3-(2-hydroxycyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 126857647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).