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

C11H16N2O — CID 59473971

IUPAC2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-8-7-12-10(13-11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyDWKOXJWUVPBJOC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.13
Rot. Bonds1

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

2-cyclohexyl-5-methyl-1H-pyrimidin-6-one (PubChem CID 59473971) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
PubChem CID59473971
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name2-cyclohexyl-5-methyl-1H-pyrimidin-6-one
SMILESCc1cnc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C11H16N2O/c1-8-7-12-10(13-11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14)
InChIKeyDWKOXJWUVPBJOC-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 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one (CID 59473971) is 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one is Cc1cnc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one?
The InChIKey is DWKOXJWUVPBJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-8-7-12-10(13-11(8)14)9-5-3-2-4-6-9/h7,9H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one?
2-cyclohexyl-5-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 2-cyclohexyl-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 59473971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).