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

C13H15Cl2N3 — CID 82022934

IUPAC2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
SMILESCc1cc(CCN)nc(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C13H14ClN3.ClH/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;1H
InChIKeyWCZUGKIEXSEPJV-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.03
Rot. Bonds3

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

2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride (PubChem CID 82022934) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
PubChem CID82022934
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
SMILESCc1cc(CCN)nc(-c2ccccc2Cl)n1.Cl
InChIInChI=1S/C13H14ClN3.ClH/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;1H
InChIKeyWCZUGKIEXSEPJV-UHFFFAOYSA-N
XLogP3.03
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.03
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;hydrochloride?
The IUPAC name of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride (CID 82022934) is 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride is Cc1cc(CCN)nc(-c2ccccc2Cl)n1.Cl.
What is the InChIKey of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
The InChIKey is WCZUGKIEXSEPJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3.ClH/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;1H.
What are the key properties of 2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride?
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride has a molecular weight of 284.19 g/mol, XLogP of 3.03, 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;hydrochloride is sourced from PubChem (CID 82022934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).