N-[(4-chlorophenyl)methyl]pyrimidin-2-amine

C11H10ClN3 — CID 4882447

IUPACN-[(4-chlorophenyl)methyl]pyrimidin-2-amine
SMILESClc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C11H10ClN3/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-7H,8H2,(H,13,14,15)
InChIKeyGXHXQTORZZKVMA-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.74
Rot. Bonds3

About N-[(4-chlorophenyl)methyl]pyrimidin-2-amine

N-[(4-chlorophenyl)methyl]pyrimidin-2-amine (PubChem CID 4882447) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]pyrimidin-2-amine
PubChem CID4882447
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC NameN-[(4-chlorophenyl)methyl]pyrimidin-2-amine
SMILESClc1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C11H10ClN3/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-7H,8H2,(H,13,14,15)
InChIKeyGXHXQTORZZKVMA-UHFFFAOYSA-N
XLogP2.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(4-chlorophenyl)methyl]pyrimidin-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-[(4-chlorophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]pyrimidin-2-amine (CID 4882447) is N-[(4-chlorophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]pyrimidin-2-amine is Clc1ccc(CNc2ncccn2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]pyrimidin-2-amine?
The InChIKey is GXHXQTORZZKVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11/h1-7H,8H2,(H,13,14,15).
What are the key properties of N-[(4-chlorophenyl)methyl]pyrimidin-2-amine?
N-[(4-chlorophenyl)methyl]pyrimidin-2-amine has a molecular weight of 219.68 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 4882447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).