2,2-diphenyl-2-pyrimidin-5-ylacetonitrile

C18H13N3 — CID 18994305

IUPAC2,2-diphenyl-2-pyrimidin-5-ylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)c1cncnc1
InChIInChI=1S/C18H13N3/c19-13-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-20-14-21-12-17/h1-12,14H
InChIKeyKMCQFASPVZWZOB-UHFFFAOYSA-N
MW271.32 g/mol
LogP3.33
Rot. Bonds3

About 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile

2,2-diphenyl-2-pyrimidin-5-ylacetonitrile (PubChem CID 18994305) has the molecular formula C18H13N3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile.

Molecular Properties

Compound Name2,2-diphenyl-2-pyrimidin-5-ylacetonitrile
PubChem CID18994305
Molecular FormulaC18H13N3
Molecular Weight271.32 g/mol
Exact Mass271.11
IUPAC Name2,2-diphenyl-2-pyrimidin-5-ylacetonitrile
SMILESN#CC(c1ccccc1)(c1ccccc1)c1cncnc1
InChIInChI=1S/C18H13N3/c19-13-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-20-14-21-12-17/h1-12,14H
InChIKeyKMCQFASPVZWZOB-UHFFFAOYSA-N
XLogP3.33
TPSA49.57 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile?
The IUPAC name of 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile (CID 18994305) is 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile.
What is the SMILES notation for 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile?
The canonical SMILES for 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile is N#CC(c1ccccc1)(c1ccccc1)c1cncnc1.
What is the InChIKey of 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile?
The InChIKey is KMCQFASPVZWZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3/c19-13-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-20-14-21-12-17/h1-12,14H.
What are the key properties of 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile?
2,2-diphenyl-2-pyrimidin-5-ylacetonitrile has a molecular weight of 271.32 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenyl-2-pyrimidin-5-ylacetonitrile is sourced from PubChem (CID 18994305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).