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

C11H14N2O2 — CID 126857543

IUPAC6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
SMILESCc1cc(=O)n(C2CCCC(=O)C2)cn1
InChIInChI=1S/C11H14N2O2/c1-8-5-11(15)13(7-12-8)9-3-2-4-10(14)6-9/h5,7,9H,2-4,6H2,1H3
InChIKeyKZQFOCYUCVYUAK-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.24
Rot. Bonds1

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

6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one (PubChem CID 126857543) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
PubChem CID126857543
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one
SMILESCc1cc(=O)n(C2CCCC(=O)C2)cn1
InChIInChI=1S/C11H14N2O2/c1-8-5-11(15)13(7-12-8)9-3-2-4-10(14)6-9/h5,7,9H,2-4,6H2,1H3
InChIKeyKZQFOCYUCVYUAK-UHFFFAOYSA-N
XLogP1.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
The IUPAC name of 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one (CID 126857543) is 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one.
What is the SMILES notation for 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
The canonical SMILES for 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one is Cc1cc(=O)n(C2CCCC(=O)C2)cn1.
What is the InChIKey of 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
The InChIKey is KZQFOCYUCVYUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8-5-11(15)13(7-12-8)9-3-2-4-10(14)6-9/h5,7,9H,2-4,6H2,1H3.
What are the key properties of 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one?
6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one has a molecular weight of 206.24 g/mol, XLogP of 1.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(3-oxocyclohexyl)pyrimidin-4-one is sourced from PubChem (CID 126857543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).