4-anilino-2-phenylpyrimidine-5-carbonitrile

C17H12N4 — CID 12598855

IUPAC4-anilino-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C17H12N4/c18-11-14-12-19-16(13-7-3-1-4-8-13)21-17(14)20-15-9-5-2-6-10-15/h1-10,12H,(H,19,20,21)
InChIKeyQRYUQKGREHTTQT-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.76
Rot. Bonds3

About 4-anilino-2-phenylpyrimidine-5-carbonitrile

4-anilino-2-phenylpyrimidine-5-carbonitrile (PubChem CID 12598855) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-anilino-2-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-phenylpyrimidine-5-carbonitrile
PubChem CID12598855
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name4-anilino-2-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2ccccc2)nc1Nc1ccccc1
InChIInChI=1S/C17H12N4/c18-11-14-12-19-16(13-7-3-1-4-8-13)21-17(14)20-15-9-5-2-6-10-15/h1-10,12H,(H,19,20,21)
InChIKeyQRYUQKGREHTTQT-UHFFFAOYSA-N
XLogP3.76
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylquinazoline-8-carbonitrile
CID 174872063
2-anilino-6-tert-butylpyridine-3-carbonitrile
CID 167790421
4-(2-methylpropyl)-2-phenylpyrimidine-5-carbonitrile
CID 46845791
2-anilino-6-pyrrol-1-ylpyridine-3,5-dicarbonitrile
CID 139236372
4-(furan-2-yl)-2-phenylpyrimidine-5-carbonitrile
CID 24901796
4-[(3-cyano-5-phenyl-2-pyridinyl)amino]benzoic acid
CID 21001889
2-chloro-4-(4-methoxyanilino)pyrimidine-5-carbonitrile
CID 146277764
4-(1,2-oxazol-3-yl)-2-phenylpyrimidine-5-carbonitrile
CID 122575562
6-phenyl-2H-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 91253210
3-anilino-1-phenylpyrazole-4-carbonitrile
CID 67254303
2-bromo-4-N-phenylpyrimidine-4,5-diamine
CID 87114632
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
CID 86732462

Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 4-anilino-2-phenylpyrimidine-5-carbonitrile (CID 12598855) is 4-anilino-2-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 4-anilino-2-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 4-anilino-2-phenylpyrimidine-5-carbonitrile is N#Cc1cnc(-c2ccccc2)nc1Nc1ccccc1.
What is the InChIKey of 4-anilino-2-phenylpyrimidine-5-carbonitrile?
The InChIKey is QRYUQKGREHTTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c18-11-14-12-19-16(13-7-3-1-4-8-13)21-17(14)20-15-9-5-2-6-10-15/h1-10,12H,(H,19,20,21).
What are the key properties of 4-anilino-2-phenylpyrimidine-5-carbonitrile?
4-anilino-2-phenylpyrimidine-5-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 12598855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).