2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

C15H18ClN3 — CID 55113438

IUPAC2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2ccccc2Cl)nc(C)c1C(C)CN
InChIInChI=1S/C15H18ClN3/c1-9(8-17)14-10(2)18-15(19-11(14)3)12-6-4-5-7-13(12)16/h4-7,9H,8,17H2,1-3H3
InChIKeyHJWLOLKWAZGMBK-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.48
Rot. Bonds3

About 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine

2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (PubChem CID 55113438) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
PubChem CID55113438
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
SMILESCc1nc(-c2ccccc2Cl)nc(C)c1C(C)CN
InChIInChI=1S/C15H18ClN3/c1-9(8-17)14-10(2)18-15(19-11(14)3)12-6-4-5-7-13(12)16/h4-7,9H,8,17H2,1-3H3
InChIKeyHJWLOLKWAZGMBK-UHFFFAOYSA-N
XLogP3.48
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 81073046
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 28908823
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786
2-[2-(2-chlorophenyl)-6-methylpyrimidin-4-yl]ethanamine;hydrochloride
CID 82022934
2-(2-chlorophenyl)pyrimidine-4,6-diamine
CID 83868891
2-[2-(3,4-difluorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745958
(1S)-1-[2-(2-chlorophenyl)-4-methylpyrimidin-5-yl]ethanol
CID 94587738
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 80539787
ethyl 4-amino-2-(2-chlorophenyl)-6-methylpyrimidine-5-carboxylate
CID 116647802
N-[[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 62745500
2-(2-chlorophenyl)-7-fluoro-4-methylquinazoline
CID 141298320
1-[2-(2-chlorophenyl)pyrimidin-5-yl]propan-2-amine
CID 62755555

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The IUPAC name of 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine (CID 55113438) is 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The canonical SMILES for 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is Cc1nc(-c2ccccc2Cl)nc(C)c1C(C)CN.
What is the InChIKey of 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
The InChIKey is HJWLOLKWAZGMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-9(8-17)14-10(2)18-15(19-11(14)3)12-6-4-5-7-13(12)16/h4-7,9H,8,17H2,1-3H3.
What are the key properties of 2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine?
2-[2-(2-chlorophenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine has a molecular weight of 275.78 g/mol, XLogP of 3.48, 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)-4,6-dimethylpyrimidin-5-yl]propan-1-amine is sourced from PubChem (CID 55113438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).