1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

C16H21N3 — CID 62770310

IUPAC1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCc1ccc(-c2ncc(C(C)NC)c(C)n2)cc1
InChIInChI=1S/C16H21N3/c1-5-13-6-8-14(9-7-13)16-18-10-15(11(2)17-4)12(3)19-16/h6-11,17H,5H2,1-4H3
InChIKeyZWIYYNMSPVBASN-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.29
Rot. Bonds4

About 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 62770310) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID62770310
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCCc1ccc(-c2ncc(C(C)NC)c(C)n2)cc1
InChIInChI=1S/C16H21N3/c1-5-13-6-8-14(9-7-13)16-18-10-15(11(2)17-4)12(3)19-16/h6-11,17H,5H2,1-4H3
InChIKeyZWIYYNMSPVBASN-UHFFFAOYSA-N
XLogP3.29
TPSA37.81 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 ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-methyl-5-[1-(methylamino)ethyl]pyrimidin-2-yl]benzene-1,2-diol
CID 136889408
1-[2-(3-bromo-4-fluorophenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 82802193
N-[1-(4-methyl-2-pyridin-4-ylpyrimidin-5-yl)ethyl]propan-1-amine
CID 62771736
N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 62771904
N-methyl-1-[4-methyl-2-(3-methylimidazol-4-yl)pyrimidin-5-yl]ethanamine
CID 82903226
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
CID 63719459
N-ethyl-1-(4-methyl-2-thieno[3,2-b]pyridin-6-ylpyrimidin-5-yl)ethanamine
CID 81146701
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
2-[2-(4-ethylphenyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 62745786
1-[2-chloro-4-(4-ethylphenyl)phenyl]-N-methylethanamine
CID 82782567
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 62771548
N-methyl-1-[4-methyl-2-(pyridin-3-ylmethyl)pyrimidin-5-yl]ethanamine
CID 62770847

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 62770310) is 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is CCc1ccc(-c2ncc(C(C)NC)c(C)n2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is ZWIYYNMSPVBASN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-5-13-6-8-14(9-7-13)16-18-10-15(11(2)17-4)12(3)19-16/h6-11,17H,5H2,1-4H3.
What are the key properties of 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 255.36 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 62770310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).