3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline

C14H17N3 — CID 121499473

IUPAC3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline
SMILESCc1ncc(C)c(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H17N3/c1-10-9-15-11(2)16-14(10)12-6-5-7-13(8-12)17(3)4/h5-9H,1-4H3
InChIKeyQAIKJEKZNZHZMP-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.83
Rot. Bonds2

About 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline

3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline (PubChem CID 121499473) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline
PubChem CID121499473
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline
SMILESCc1ncc(C)c(-c2cccc(N(C)C)c2)n1
InChIInChI=1S/C14H17N3/c1-10-9-15-11(2)16-14(10)12-6-5-7-13(8-12)17(3)4/h5-9H,1-4H3
InChIKeyQAIKJEKZNZHZMP-UHFFFAOYSA-N
XLogP2.83
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline 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-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline (CID 121499473) is 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline is Cc1ncc(C)c(-c2cccc(N(C)C)c2)n1.
What is the InChIKey of 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline?
The InChIKey is QAIKJEKZNZHZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-10-9-15-11(2)16-14(10)12-6-5-7-13(8-12)17(3)4/h5-9H,1-4H3.
What are the key properties of 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline?
3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline has a molecular weight of 227.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrimidin-4-yl)-N,N-dimethylaniline is sourced from PubChem (CID 121499473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).