N-benzyl-4-chloro-6-methylpyrimidin-2-amine

C12H12ClN3 — CID 697222

IUPACN-benzyl-4-chloro-6-methylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(NCc2ccccc2)n1
InChIInChI=1S/C12H12ClN3/c1-9-7-11(13)16-12(15-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyCXCLPGFYAWUDEC-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.05
Rot. Bonds3

About N-benzyl-4-chloro-6-methylpyrimidin-2-amine

N-benzyl-4-chloro-6-methylpyrimidin-2-amine (PubChem CID 697222) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is N-benzyl-4-chloro-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-chloro-6-methylpyrimidin-2-amine
PubChem CID697222
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC NameN-benzyl-4-chloro-6-methylpyrimidin-2-amine
SMILESCc1cc(Cl)nc(NCc2ccccc2)n1
InChIInChI=1S/C12H12ClN3/c1-9-7-11(13)16-12(15-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16)
InChIKeyCXCLPGFYAWUDEC-UHFFFAOYSA-N
XLogP3.05
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-benzyl-4-chloro-6-methylpyrimidin-2-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-4-chloro-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-chloro-6-methylpyrimidin-2-amine (CID 697222) is N-benzyl-4-chloro-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-chloro-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-chloro-6-methylpyrimidin-2-amine is Cc1cc(Cl)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-chloro-6-methylpyrimidin-2-amine?
The InChIKey is CXCLPGFYAWUDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-9-7-11(13)16-12(15-9)14-8-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15,16).
What are the key properties of N-benzyl-4-chloro-6-methylpyrimidin-2-amine?
N-benzyl-4-chloro-6-methylpyrimidin-2-amine has a molecular weight of 233.70 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-chloro-6-methylpyrimidin-2-amine is sourced from PubChem (CID 697222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).