2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile

C22H15N5 — CID 166629609

IUPAC2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C22H15N5/c23-14-19-20(16-8-3-1-4-9-16)26-22(25-18-11-5-2-6-12-18)27-21(19)17-10-7-13-24-15-17/h1-13,15H,(H,25,26,27)
InChIKeyGQSKEQHAKMIFLM-UHFFFAOYSA-N
MW349.40 g/mol
LogP4.82
Rot. Bonds4

About 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile

2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile (PubChem CID 166629609) has the molecular formula C22H15N5 and a molecular weight of 349.40 g/mol. Its IUPAC name is 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile
PubChem CID166629609
Molecular FormulaC22H15N5
Molecular Weight349.40 g/mol
Exact Mass349.13
IUPAC Name2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccnc1
InChIInChI=1S/C22H15N5/c23-14-19-20(16-8-3-1-4-9-16)26-22(25-18-11-5-2-6-12-18)27-21(19)17-10-7-13-24-15-17/h1-13,15H,(H,25,26,27)
InChIKeyGQSKEQHAKMIFLM-UHFFFAOYSA-N
XLogP4.82
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile (CID 166629609) is 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1cccnc1.
What is the InChIKey of 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
The InChIKey is GQSKEQHAKMIFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5/c23-14-19-20(16-8-3-1-4-9-16)26-22(25-18-11-5-2-6-12-18)27-21(19)17-10-7-13-24-15-17/h1-13,15H,(H,25,26,27).
What are the key properties of 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile?
2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile has a molecular weight of 349.40 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-phenyl-6-pyridin-3-ylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166629609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).