3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one

C15H17N3O — CID 123353922

IUPAC3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ncccn2)cc1C1CCCCC1
InChIInChI=1S/C15H17N3O/c19-15-13(11-5-2-1-3-6-11)9-12(10-18-15)14-16-7-4-8-17-14/h4,7-11H,1-3,5-6H2,(H,18,19)
InChIKeyAMEBNDIGVYDDBR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.88
Rot. Bonds2

About 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one

3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one (PubChem CID 123353922) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one
PubChem CID123353922
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one
SMILESO=c1[nH]cc(-c2ncccn2)cc1C1CCCCC1
InChIInChI=1S/C15H17N3O/c19-15-13(11-5-2-1-3-6-11)9-12(10-18-15)14-16-7-4-8-17-14/h4,7-11H,1-3,5-6H2,(H,18,19)
InChIKeyAMEBNDIGVYDDBR-UHFFFAOYSA-N
XLogP2.88
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one (CID 123353922) is 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one is O=c1[nH]cc(-c2ncccn2)cc1C1CCCCC1.
What is the InChIKey of 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one?
The InChIKey is AMEBNDIGVYDDBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c19-15-13(11-5-2-1-3-6-11)9-12(10-18-15)14-16-7-4-8-17-14/h4,7-11H,1-3,5-6H2,(H,18,19).
What are the key properties of 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one?
3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one has a molecular weight of 255.32 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-pyrimidin-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 123353922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).