2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile

C17H18N4O — CID 135497667

IUPAC2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESCC1CCN(c2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)CC1
InChIInChI=1S/C17H18N4O/c1-12-7-9-21(10-8-12)17-19-15(13-5-3-2-4-6-13)14(11-18)16(22)20-17/h2-6,12H,7-10H2,1H3,(H,19,20,22)
InChIKeyCVHXUJXFNBZJLC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.54
Rot. Bonds2

About 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile

2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 135497667) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID135497667
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESCC1CCN(c2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)CC1
InChIInChI=1S/C17H18N4O/c1-12-7-9-21(10-8-12)17-19-15(13-5-3-2-4-6-13)14(11-18)16(22)20-17/h2-6,12H,7-10H2,1H3,(H,19,20,22)
InChIKeyCVHXUJXFNBZJLC-UHFFFAOYSA-N
XLogP2.54
TPSA72.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_pyridone_B(27)', 'substructure': 'N/A'}

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Related Compounds

2-Amino-6-oxo-4-phenyl-1,6-dihydropyrimidine-5-carbonitrile
CID 135724997
2-(4-Benzylpiperazin-1-yl)-4-hydroxy-6-phenylpyrimidine-5-carbonitrile
CID 135577790
2-(3,4-dihydro-2(1H)-isoquinolinyl)-6-methyl-5-(3-methylbutyl)-4(3H)-pyrimidinone
CID 135399497
4-Hydroxy-6-(4-isopropylphenyl)-2-piperidin-1-ylpyrimidine-5-carbonitrile
CID 135412483
4-(4-Isopropylphenyl)-2-(4-morpholinyl)-6-oxo-1,6-dihydro-5-pyrimidinecarbonitrile
CID 135448837
2-[2-(3-(r)-Aminopiperidin-1-yl)-4,5-dimethyl-6-oxo-6h-pyrimidin-1-ylmethyl]benzonitrile
CID 11348315
2-Amino-6-benzyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 135441852
4-Hydroxy-2-morpholin-4-yl-6-phenylpyrimidine-5-carbonitrile
CID 135420422
1-benzyl-4-(dimethylamino)-6-oxo-3,5-dihydro-2H-pyrrolo[3,2-c]pyridine-7-carbonitrile
CID 658105
2-(4-benzylpiperazin-1-yl)-5-butyl-6-hydroxypyrimidin-4(3H)-one
CID 666885
2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4(3H)-one
CID 135414578
4-[(2,6-difluorophenyl)methyl]-2-(1-piperidyl)-1H-pyrimidin-6-one
CID 135434834

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (CID 135497667) is 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is CC1CCN(c2nc(-c3ccccc3)c(C#N)c(=O)[nH]2)CC1.
What is the InChIKey of 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is CVHXUJXFNBZJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-12-7-9-21(10-8-12)17-19-15(13-5-3-2-4-6-13)14(11-18)16(22)20-17/h2-6,12H,7-10H2,1H3,(H,19,20,22).
What are the key properties of 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 294.36 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperidin-1-yl)-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135497667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).