2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile

C15H14N4O2 — CID 135420422

IUPAC2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C15H14N4O2/c16-10-12-13(11-4-2-1-3-5-11)17-15(18-14(12)20)19-6-8-21-9-7-19/h1-5H,6-9H2,(H,17,18,20)
InChIKeyLDHMMBYVDLVAHY-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.15
Rot. Bonds2

About 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile

2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 135420422) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID135420422
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C15H14N4O2/c16-10-12-13(11-4-2-1-3-5-11)17-15(18-14(12)20)19-6-8-21-9-7-19/h1-5H,6-9H2,(H,17,18,20)
InChIKeyLDHMMBYVDLVAHY-UHFFFAOYSA-N
XLogP1.15
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
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
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667
4-[(2,6-difluorophenyl)methyl]-2-morpholino-1H-pyrimidin-6-one
CID 135434832
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholino-1H-pyrimidin-6-one
CID 135434839
2-(4-benzylpiperazin-1-yl)-5,6-dimethylpyrimidin-4(3H)-one
CID 135491353
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholino-1H-pyrimidin-6-one
CID 135771932
2-(Morpholin-4-YL)-7-{[2-(trifluoromethyl)phenyl]methyl}-3H,4H,5H,6H,7H,8H,9H-pyrimido[4,5-D]azepin-4-one
CID 136665498
2-morpholino-7-(2,4,5-trifluorobenzyl)-3,5,6,7,8,9-hexahydro-4H-pyrimido[4,5-d]azepin-4-one
CID 136665507
2-(1-Azepanyl)-6-oxo-4-phenyl-1,6-dihydro-5-pyrimidinecarbonitrile
CID 135448832

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile (CID 135420422) is 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is LDHMMBYVDLVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c16-10-12-13(11-4-2-1-3-5-11)17-15(18-14(12)20)19-6-8-21-9-7-19/h1-5H,6-9H2,(H,17,18,20).
What are the key properties of 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile?
2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 282.30 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-oxo-4-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 135420422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).