2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one

C16H19N3O — CID 135634689

IUPAC2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(NC2CCCCC2)[nH]1
InChIInChI=1S/C16H19N3O/c20-15-11-14(12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20)
InChIKeyWLKHCNMIVBLWRL-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.18
Rot. Bonds3

About 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one

2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one (PubChem CID 135634689) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one
PubChem CID135634689
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccccc2)nc(NC2CCCCC2)[nH]1
InChIInChI=1S/C16H19N3O/c20-15-11-14(12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20)
InChIKeyWLKHCNMIVBLWRL-UHFFFAOYSA-N
XLogP3.18
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135402832
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135402833
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
2-(Benzylamino)-6-(4-methylphenyl)-4-pyrimidinol
CID 135459328
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
2-Imino-5-methyl-6-phenyl-1,2-dihydropyrimidin-4-ol
CID 135449835

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one (CID 135634689) is 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one is O=c1cc(-c2ccccc2)nc(NC2CCCCC2)[nH]1.
What is the InChIKey of 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is WLKHCNMIVBLWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c20-15-11-14(12-7-3-1-4-8-12)18-16(19-15)17-13-9-5-2-6-10-13/h1,3-4,7-8,11,13H,2,5-6,9-10H2,(H2,17,18,19,20).
What are the key properties of 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one?
2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 269.35 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135634689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).