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

C13H14ClN3 — CID 28908823

IUPAC2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3/c1-9-8-10(6-7-15)17-13(16-9)11-4-2-3-5-12(11)14/h2-5,8H,6-7,15H2,1H3
InChIKeyLKBAWSFGNCMKBC-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.61
Rot. Bonds3

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

2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine (PubChem CID 28908823) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
PubChem CID28908823
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C13H14ClN3/c1-9-8-10(6-7-15)17-13(16-9)11-4-2-3-5-12(11)14/h2-5,8H,6-7,15H2,1H3
InChIKeyLKBAWSFGNCMKBC-UHFFFAOYSA-N
XLogP2.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine (CID 28908823) is 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine is Cc1cc(CCN)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine?
The InChIKey is LKBAWSFGNCMKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-9-8-10(6-7-15)17-13(16-9)11-4-2-3-5-12(11)14/h2-5,8H,6-7,15H2,1H3.
What are the key properties of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine?
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine has a molecular weight of 247.73 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine is sourced from PubChem (CID 28908823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).