2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile

C23H15FN4 — CID 166625276

IUPAC2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1F
InChIInChI=1S/C23H15FN4/c24-20-14-8-7-13-18(20)22-19(15-25)21(16-9-3-1-4-10-16)27-23(28-22)26-17-11-5-2-6-12-17/h1-14H,(H,26,27,28)
InChIKeyZRVRVLXRGSBCGS-UHFFFAOYSA-N
MW366.40 g/mol
LogP5.56
Rot. Bonds4

About 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile

2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166625276) has the molecular formula C23H15FN4 and a molecular weight of 366.40 g/mol. Its IUPAC name is 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166625276
Molecular FormulaC23H15FN4
Molecular Weight366.40 g/mol
Exact Mass366.13
IUPAC Name2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1F
InChIInChI=1S/C23H15FN4/c24-20-14-8-7-13-18(20)22-19(15-25)21(16-9-3-1-4-10-16)27-23(28-22)26-17-11-5-2-6-12-17/h1-14H,(H,26,27,28)
InChIKeyZRVRVLXRGSBCGS-UHFFFAOYSA-N
XLogP5.56
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.40
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile (CID 166625276) is 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccccc1F.
What is the InChIKey of 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is ZRVRVLXRGSBCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4/c24-20-14-8-7-13-18(20)22-19(15-25)21(16-9-3-1-4-10-16)27-23(28-22)26-17-11-5-2-6-12-17/h1-14H,(H,26,27,28).
What are the key properties of 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile?
2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 366.40 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(2-fluorophenyl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166625276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).