5-cyclohexyl-2-methyl-1H-pyrimidin-6-one

C11H16N2O — CID 117260853

IUPAC5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-8-12-7-10(11(14)13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyACRPSBGJCZNZPK-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds1

About 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one

5-cyclohexyl-2-methyl-1H-pyrimidin-6-one (PubChem CID 117260853) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
PubChem CID117260853
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-cyclohexyl-2-methyl-1H-pyrimidin-6-one
SMILESCc1ncc(C2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C11H16N2O/c1-8-12-7-10(11(14)13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyACRPSBGJCZNZPK-UHFFFAOYSA-N
XLogP2.13
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one (CID 117260853) is 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one is Cc1ncc(C2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one?
The InChIKey is ACRPSBGJCZNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-12-7-10(11(14)13-8)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one?
5-cyclohexyl-2-methyl-1H-pyrimidin-6-one has a molecular weight of 192.26 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 117260853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).