N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine

C13H14ClN3 — CID 62477780

IUPACN-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Cl)n1
InChIInChI=1S/C13H14ClN3/c1-10-8-12(16-13(14)15-10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeySUHAZLWIPDZRAN-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.07
Rot. Bonds3

About N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine

N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine (PubChem CID 62477780) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
PubChem CID62477780
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC NameN-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)Cc2ccccc2)nc(Cl)n1
InChIInChI=1S/C13H14ClN3/c1-10-8-12(16-13(14)15-10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
InChIKeySUHAZLWIPDZRAN-UHFFFAOYSA-N
XLogP3.07
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine 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 N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine (CID 62477780) is N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)Cc2ccccc2)nc(Cl)n1.
What is the InChIKey of N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine?
The InChIKey is SUHAZLWIPDZRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-10-8-12(16-13(14)15-10)17(2)9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3.
What are the key properties of N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine?
N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine has a molecular weight of 247.73 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-chloro-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 62477780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).