2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile

C23H16N4O — CID 166629697

IUPAC2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccc(O)c1
InChIInChI=1S/C23H16N4O/c24-15-20-21(16-8-3-1-4-9-16)26-23(25-18-11-5-2-6-12-18)27-22(20)17-10-7-13-19(28)14-17/h1-14,28H,(H,25,26,27)
InChIKeyMFZLBHLPVUJXAP-UHFFFAOYSA-N
MW364.41 g/mol
LogP5.13
Rot. Bonds4

About 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile

2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166629697) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166629697
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccc(O)c1
InChIInChI=1S/C23H16N4O/c24-15-20-21(16-8-3-1-4-9-16)26-23(25-18-11-5-2-6-12-18)27-22(20)17-10-7-13-19(28)14-17/h1-14,28H,(H,25,26,27)
InChIKeyMFZLBHLPVUJXAP-UHFFFAOYSA-N
XLogP5.13
TPSA81.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.41
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166629697) is 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccc(O)c1.
What is the InChIKey of 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is MFZLBHLPVUJXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-15-20-21(16-8-3-1-4-9-16)26-23(25-18-11-5-2-6-12-18)27-22(20)17-10-7-13-19(28)14-17/h1-14,28H,(H,25,26,27).
What are the key properties of 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile?
2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 5.13, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(3-hydroxyphenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166629697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).