4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile

C11H8N4O — CID 12848051

IUPAC4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(16)15-10(8)13/h1-5H,(H3,13,14,15,16)
InChIKeyRGDOITBMSUVDTL-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.89
Rot. Bonds1

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

4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile (PubChem CID 12848051) has the molecular formula C11H8N4O and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile
PubChem CID12848051
Molecular FormulaC11H8N4O
Molecular Weight212.21 g/mol
Exact Mass212.07
IUPAC Name4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile
SMILESN#Cc1c(N)nc(=O)[nH]c1-c1ccccc1
InChIInChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(16)15-10(8)13/h1-5H,(H3,13,14,15,16)
InChIKeyRGDOITBMSUVDTL-UHFFFAOYSA-N
XLogP0.89
TPSA95.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1,3,5-Triazin-2(1H)-one, 4,6-diphenyl-
CID 135427225
4-Amino-6-phenyl-s-triazine-2-ol
CID 135408760
Pyrimidine-5-carbonitrile, 4-amino-2-mercapto-6-p-tolyl-
CID 6425727
4,7-diphenyl-3H-pyrido[2,3-d]pyrimidin-2-one
CID 134914632
4-Phenylpyrido[2,3-d]pyrimidin-2(1h)-one
CID 14399649
6-Phenylcytosin
CID 20159709
6-Phenyl-1,3,5-triazin-2(1H)-one
CID 21867874
3-benzyl-4-imino-2-oxo-1H-pyrimidine-5-carbonitrile
CID 504353
5-Methyl-6-phenyl-2-pyrimidinol
CID 3031521
4-amino-6-(4-fluorophenyl)-5-iodo-1H-pyrimidin-2-one
CID 123287672
6-(4-fluorophenyl)-5-methyl-4-phosphanyl-1H-pyrimidin-2-one
CID 143917633
4-(2-fluorophenyl)-3H-pyrido[2,3-d]pyrimidin-2-one
CID 150007122

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile (CID 12848051) is 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile is N#Cc1c(N)nc(=O)[nH]c1-c1ccccc1.
What is the InChIKey of 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile?
The InChIKey is RGDOITBMSUVDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4O/c12-6-8-9(7-4-2-1-3-5-7)14-11(16)15-10(8)13/h1-5H,(H3,13,14,15,16).
What are the key properties of 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile?
4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile has a molecular weight of 212.21 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-oxo-6-phenyl-1H-pyrimidine-5-carbonitrile is sourced from PubChem (CID 12848051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).