2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile

C21H14N4O — CID 166630902

IUPAC2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccco1
InChIInChI=1S/C21H14N4O/c22-14-17-19(15-8-3-1-4-9-15)24-21(23-16-10-5-2-6-11-16)25-20(17)18-12-7-13-26-18/h1-13H,(H,23,24,25)
InChIKeyPMGRDIKEQFHCSA-UHFFFAOYSA-N
MW338.37 g/mol
LogP5.02
Rot. Bonds4

About 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile

2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile (PubChem CID 166630902) has the molecular formula C21H14N4O and a molecular weight of 338.37 g/mol. Its IUPAC name is 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile
PubChem CID166630902
Molecular FormulaC21H14N4O
Molecular Weight338.37 g/mol
Exact Mass338.12
IUPAC Name2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccco1
InChIInChI=1S/C21H14N4O/c22-14-17-19(15-8-3-1-4-9-15)24-21(23-16-10-5-2-6-11-16)25-20(17)18-12-7-13-26-18/h1-13H,(H,23,24,25)
InChIKeyPMGRDIKEQFHCSA-UHFFFAOYSA-N
XLogP5.02
TPSA74.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.37
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile (CID 166630902) is 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(Nc2ccccc2)nc1-c1ccco1.
What is the InChIKey of 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile?
The InChIKey is PMGRDIKEQFHCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O/c22-14-17-19(15-8-3-1-4-9-15)24-21(23-16-10-5-2-6-11-16)25-20(17)18-12-7-13-26-18/h1-13H,(H,23,24,25).
What are the key properties of 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile?
2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile has a molecular weight of 338.37 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-4-(furan-2-yl)-6-phenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 166630902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).