2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine

C16H21N3 — CID 82482372

IUPAC2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine
SMILESCc1cc(C(C)C)nc(-c2ccc(CCN)cc2)n1
InChIInChI=1S/C16H21N3/c1-11(2)15-10-12(3)18-16(19-15)14-6-4-13(5-7-14)8-9-17/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyOZUQQLOLMLCAME-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.08
Rot. Bonds4

About 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine

2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine (PubChem CID 82482372) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine
PubChem CID82482372
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine
SMILESCc1cc(C(C)C)nc(-c2ccc(CCN)cc2)n1
InChIInChI=1S/C16H21N3/c1-11(2)15-10-12(3)18-16(19-15)14-6-4-13(5-7-14)8-9-17/h4-7,10-11H,8-9,17H2,1-3H3
InChIKeyOZUQQLOLMLCAME-UHFFFAOYSA-N
XLogP3.08
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)aniline
CID 55205286
4-[4-(difluoromethyl)-6-methylpyrimidin-2-yl]aniline
CID 165438930
2-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]ethanamine;hydrochloride
CID 82022820
2-[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]ethanamine
CID 62745037
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine
CID 28904875
2-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 95464263
2-(6-methyl-2-phenylpyrimidin-4-yl)ethanamine;hydrochloride
CID 82022817
methanamine;2-(4-methylphenyl)ethanamine
CID 144589082
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
CID 107502262
1-[4-methyl-6-(4-propylphenyl)pyrimidin-2-yl]ethanamine
CID 116892485
2,2-dimethyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pentane-1,5-diamine
CID 106142913
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine (CID 82482372) is 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine is Cc1cc(C(C)C)nc(-c2ccc(CCN)cc2)n1.
What is the InChIKey of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine?
The InChIKey is OZUQQLOLMLCAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11(2)15-10-12(3)18-16(19-15)14-6-4-13(5-7-14)8-9-17/h4-7,10-11H,8-9,17H2,1-3H3.
What are the key properties of 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine?
2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)phenyl]ethanamine is sourced from PubChem (CID 82482372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).