3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile

C11H11N3 — CID 150441075

IUPAC3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile
SMILESN#CC1NCC=CN1c1ccccc1
InChIInChI=1S/C11H11N3/c12-9-11-13-7-4-8-14(11)10-5-2-1-3-6-10/h1-6,8,11,13H,7H2
InChIKeyHLUBEUOVFKRRIR-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.46
Rot. Bonds1

About 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile

3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile (PubChem CID 150441075) has the molecular formula C11H11N3 and a molecular weight of 185.23 g/mol. Its IUPAC name is 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile
PubChem CID150441075
Molecular FormulaC11H11N3
Molecular Weight185.23 g/mol
Exact Mass185.10
IUPAC Name3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile
SMILESN#CC1NCC=CN1c1ccccc1
InChIInChI=1S/C11H11N3/c12-9-11-13-7-4-8-14(11)10-5-2-1-3-6-10/h1-6,8,11,13H,7H2
InChIKeyHLUBEUOVFKRRIR-UHFFFAOYSA-N
XLogP1.46
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile?
The IUPAC name of 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile (CID 150441075) is 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile.
What is the SMILES notation for 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile?
The canonical SMILES for 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile is N#CC1NCC=CN1c1ccccc1.
What is the InChIKey of 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile?
The InChIKey is HLUBEUOVFKRRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3/c12-9-11-13-7-4-8-14(11)10-5-2-1-3-6-10/h1-6,8,11,13H,7H2.
What are the key properties of 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile?
3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile has a molecular weight of 185.23 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2,6-dihydro-1H-pyrimidine-2-carbonitrile is sourced from PubChem (CID 150441075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).