6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one

C14H18N2O2 — CID 126857748

IUPAC6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
SMILESCc1nc(C2CC2)cc(=O)n1C1CCCC(=O)C1
InChIInChI=1S/C14H18N2O2/c1-9-15-13(10-5-6-10)8-14(18)16(9)11-3-2-4-12(17)7-11/h8,10-11H,2-7H2,1H3
InChIKeyPCMURXLPPJKFBY-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.11
Rot. Bonds2

About 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one

6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one (PubChem CID 126857748) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
PubChem CID126857748
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
SMILESCc1nc(C2CC2)cc(=O)n1C1CCCC(=O)C1
InChIInChI=1S/C14H18N2O2/c1-9-15-13(10-5-6-10)8-14(18)16(9)11-3-2-4-12(17)7-11/h8,10-11H,2-7H2,1H3
InChIKeyPCMURXLPPJKFBY-UHFFFAOYSA-N
XLogP2.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
The IUPAC name of 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one (CID 126857748) is 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
The canonical SMILES for 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one is Cc1nc(C2CC2)cc(=O)n1C1CCCC(=O)C1.
What is the InChIKey of 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
The InChIKey is PCMURXLPPJKFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-9-15-13(10-5-6-10)8-14(18)16(9)11-3-2-4-12(17)7-11/h8,10-11H,2-7H2,1H3.
What are the key properties of 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 126857748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).