2-amino-4,6-diphenylpyrimidine-5-carbonitrile

C17H12N4 — CID 18507264

IUPAC2-amino-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1
InChIInChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
InChIKeyJMXZSEAMWCKILY-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.26
Rot. Bonds2

About 2-amino-4,6-diphenylpyrimidine-5-carbonitrile

2-amino-4,6-diphenylpyrimidine-5-carbonitrile (PubChem CID 18507264) has the molecular formula C17H12N4 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-4,6-diphenylpyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-amino-4,6-diphenylpyrimidine-5-carbonitrile
PubChem CID18507264
Molecular FormulaC17H12N4
Molecular Weight272.31 g/mol
Exact Mass272.11
IUPAC Name2-amino-4,6-diphenylpyrimidine-5-carbonitrile
SMILESN#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1
InChIInChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21)
InChIKeyJMXZSEAMWCKILY-UHFFFAOYSA-N
XLogP3.26
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,6-diphenylpyrimidine-5-carbonitrile?
The IUPAC name of 2-amino-4,6-diphenylpyrimidine-5-carbonitrile (CID 18507264) is 2-amino-4,6-diphenylpyrimidine-5-carbonitrile.
What is the SMILES notation for 2-amino-4,6-diphenylpyrimidine-5-carbonitrile?
The canonical SMILES for 2-amino-4,6-diphenylpyrimidine-5-carbonitrile is N#Cc1c(-c2ccccc2)nc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-4,6-diphenylpyrimidine-5-carbonitrile?
The InChIKey is JMXZSEAMWCKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4/c18-11-14-15(12-7-3-1-4-8-12)20-17(19)21-16(14)13-9-5-2-6-10-13/h1-10H,(H2,19,20,21).
What are the key properties of 2-amino-4,6-diphenylpyrimidine-5-carbonitrile?
2-amino-4,6-diphenylpyrimidine-5-carbonitrile has a molecular weight of 272.31 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,6-diphenylpyrimidine-5-carbonitrile is sourced from PubChem (CID 18507264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).