2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine

C12H12ClN3 — CID 83850617

IUPAC2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
SMILESNCCc1cc(-c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-7-11(5-6-14)15-8-16-12/h1-4,7-8H,5-6,14H2
InChIKeyLBHYEQOPTYZDHS-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.30
Rot. Bonds3

About 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine

2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine (PubChem CID 83850617) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
PubChem CID83850617
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine
SMILESNCCc1cc(-c2ccc(Cl)cc2)ncn1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-7-11(5-6-14)15-8-16-12/h1-4,7-8H,5-6,14H2
InChIKeyLBHYEQOPTYZDHS-UHFFFAOYSA-N
XLogP2.30
TPSA51.80 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(4-fluorophenyl)pyrimidin-4-yl]ethanamine
CID 83849204
2-(6-pyridin-4-ylpyrimidin-4-yl)ethanamine
CID 83847964
2-[6-(4-chlorophenyl)pyrimidin-4-yl]acetic acid
CID 117000602
2-[6-(4-chlorophenyl)-2-pyridinyl]ethanamine
CID 83713592
[6-(4-bromophenyl)pyrimidin-4-yl]methanamine;hydrochloride
CID 82022750
4-(4-chlorophenyl)-6-[3-(oxan-2-yloxy)propyl]pyrimidine
CID 67397995
[6-(4-cyclopropylphenyl)pyrimidin-4-yl]methanamine
CID 118008230
4-phenyl-6-propylpyrimidine
CID 13153439
[6-(4-propan-2-yloxyphenyl)pyrimidin-4-yl]methanamine
CID 28908778
4-(3,4-difluorophenyl)-6-ethylpyrimidine
CID 57247663
4-butyl-6-phenylpyrimidine
CID 71620017
4-chloro-N-[[6-(4-methoxyphenyl)pyrimidin-4-yl]methyl]benzamide
CID 122262337

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine (CID 83850617) is 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine is NCCc1cc(-c2ccc(Cl)cc2)ncn1.
What is the InChIKey of 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine?
The InChIKey is LBHYEQOPTYZDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-3-1-9(2-4-10)12-7-11(5-6-14)15-8-16-12/h1-4,7-8H,5-6,14H2.
What are the key properties of 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine?
2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine has a molecular weight of 233.70 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)pyrimidin-4-yl]ethanamine is sourced from PubChem (CID 83850617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).