1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine

C13H14ClN3 — CID 116892474

IUPAC1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc(Cl)cc2)nc(C(C)N)n1
InChIInChI=1S/C13H14ClN3/c1-8-7-12(17-13(16-8)9(2)15)10-3-5-11(14)6-4-10/h3-7,9H,15H2,1-2H3
InChIKeyBWTJCVIUESXUNJ-UHFFFAOYSA-N
MW247.73 g/mol
LogP3.13
Rot. Bonds2

About 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine

1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine (PubChem CID 116892474) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
PubChem CID116892474
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine
SMILESCc1cc(-c2ccc(Cl)cc2)nc(C(C)N)n1
InChIInChI=1S/C13H14ClN3/c1-8-7-12(17-13(16-8)9(2)15)10-3-5-11(14)6-4-10/h3-7,9H,15H2,1-2H3
InChIKeyBWTJCVIUESXUNJ-UHFFFAOYSA-N
XLogP3.13
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-tert-butylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892469
1-[4-(4-ethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892467
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485
1-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892490
1-[4-methyl-6-(2,4,5-trimethylphenyl)pyrimidin-2-yl]ethanamine
CID 116892504
4-bromo-6-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 112554781
1-[4-(2,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanamine
CID 116892482
2-chloro-4-[4-(4-chlorophenoxy)phenyl]-6-methylpyrimidine
CID 71493533
1-(4-methyl-6-phenylpyrimidin-2-yl)propan-1-amine
CID 55204515
2,6-bis(4-chlorophenyl)-4-(4-methylphenyl)pyridine
CID 101453856
4-(4-chlorophenyl)-2-propan-2-ylpyrimidine
CID 67473578
1-(4-cyclopropyl-6-methylpyrimidin-2-yl)ethanamine
CID 63318658

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine?
The IUPAC name of 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine (CID 116892474) is 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine.
What is the SMILES notation for 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine?
The canonical SMILES for 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine is Cc1cc(-c2ccc(Cl)cc2)nc(C(C)N)n1.
What is the InChIKey of 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine?
The InChIKey is BWTJCVIUESXUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c1-8-7-12(17-13(16-8)9(2)15)10-3-5-11(14)6-4-10/h3-7,9H,15H2,1-2H3.
What are the key properties of 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine?
1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine has a molecular weight of 247.73 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)-6-methylpyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116892474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).