2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine

C16H17N3 — CID 70343466

IUPAC2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
SMILESC1=C(c2ncccn2)CC(Cc2ccccc2)NC1
InChIInChI=1S/C16H17N3/c1-2-5-13(6-3-1)11-15-12-14(7-10-17-15)16-18-8-4-9-19-16/h1-9,15,17H,10-12H2
InChIKeyNJTYLUFBOGVMJT-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.46
Rot. Bonds3

About 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine

2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine (PubChem CID 70343466) has the molecular formula C16H17N3 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
PubChem CID70343466
Molecular FormulaC16H17N3
Molecular Weight251.33 g/mol
Exact Mass251.14
IUPAC Name2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine
SMILESC1=C(c2ncccn2)CC(Cc2ccccc2)NC1
InChIInChI=1S/C16H17N3/c1-2-5-13(6-3-1)11-15-12-14(7-10-17-15)16-18-8-4-9-19-16/h1-9,15,17H,10-12H2
InChIKeyNJTYLUFBOGVMJT-UHFFFAOYSA-N
XLogP2.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine 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 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The IUPAC name of 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine (CID 70343466) is 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine.
What is the SMILES notation for 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The canonical SMILES for 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine is C1=C(c2ncccn2)CC(Cc2ccccc2)NC1.
What is the InChIKey of 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
The InChIKey is NJTYLUFBOGVMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3/c1-2-5-13(6-3-1)11-15-12-14(7-10-17-15)16-18-8-4-9-19-16/h1-9,15,17H,10-12H2.
What are the key properties of 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine?
2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine has a molecular weight of 251.33 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzyl-1,2,3,6-tetrahydropyridin-4-yl)pyrimidine is sourced from PubChem (CID 70343466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).