2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

C13H9N5O — CID 135566498

IUPAC2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)
InChIKeyVQYNAWQVXOOXHS-UHFFFAOYSA-N
MW251.25 g/mol
LogP1.37
Rot. Bonds1

About 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 135566498) has the molecular formula C13H9N5O and a molecular weight of 251.25 g/mol. Its IUPAC name is 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID135566498
Molecular FormulaC13H9N5O
Molecular Weight251.25 g/mol
Exact Mass251.08
IUPAC Name2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19)
InChIKeyVQYNAWQVXOOXHS-UHFFFAOYSA-N
XLogP1.37
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-6-phenyl-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 15331766
4-[2-amino-5-[2-(cyanomethyl)phenyl]-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl]-N,N-dimethylbenzenesulfonamide
CID 164551701
2,4-diamino-5-phenyl-1H-pyrimidin-6-one
CID 135448367
2-amino-4-[2-(4-chlorophenyl)-1H-indol-3-yl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 139220923
2-amino-6-oxo-4-(4-phenylbutylamino)-1H-pyrimidine-5-carbonitrile
CID 135604870
2-amino-5-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-6-(4-fluorophenyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 135656204
2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 102016835
2-(4-methylphenyl)-6-oxo-4-phenyl-1H-pyridine-3,5-dicarbonitrile
CID 12550717
7-amino-3,4-diphenyl-6H-pyrimido[4,5-c]pyridazin-5-one
CID 135837392
3-methyl-2,4-dioxo-6-phenyl-1H-pyrimidine-5-carbonitrile
CID 675286
2,8-dimethyl-4-oxo-6-phenyl-3H-pyrido[3,4-d]pyrimidine-5-carbonitrile
CID 155463734
2-amino-5-benzyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 142732162

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 135566498) is 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is VQYNAWQVXOOXHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O/c14-6-8-9-11(17-13(15)18-12(9)19)16-10(8)7-4-2-1-3-5-7/h1-5H,(H4,15,16,17,18,19).
What are the key properties of 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 251.25 g/mol, XLogP of 1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-oxo-6-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 135566498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).