2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

C15H11N5O — CID 135566677

IUPAC2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+
InChIKeyWPTUPLITBGLORN-VOTSOKGWSA-N
MW277.29 g/mol
LogP1.88
Rot. Bonds2

About 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile

2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 135566677) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID135566677
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1c(/C=C/c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12
InChIInChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+
InChIKeyWPTUPLITBGLORN-VOTSOKGWSA-N
XLogP1.88
TPSA111.35 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 135566677) is 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1c(/C=C/c2ccccc2)[nH]c2nc(N)[nH]c(=O)c12.
What is the InChIKey of 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is WPTUPLITBGLORN-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H11N5O/c16-8-10-11(7-6-9-4-2-1-3-5-9)18-13-12(10)14(21)20-15(17)19-13/h1-7H,(H4,17,18,19,20,21)/b7-6+.
What are the key properties of 2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile?
2-amino-4-oxo-6-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 277.29 g/mol, XLogP of 1.88, 2 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-[(E)-2-phenylethenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 135566677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).