2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine

C15H19N3 — CID 116897730

IUPAC2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1ccc(-c2ccnc(CCN)n2)c(C)c1C
InChIInChI=1S/C15H19N3/c1-10-4-5-13(12(3)11(10)2)14-7-9-17-15(18-14)6-8-16/h4-5,7,9H,6,8,16H2,1-3H3
InChIKeyJAGAUMUDELDPIF-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.57
Rot. Bonds3

About 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine

2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 116897730) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID116897730
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine
SMILESCc1ccc(-c2ccnc(CCN)n2)c(C)c1C
InChIInChI=1S/C15H19N3/c1-10-4-5-13(12(3)11(10)2)14-7-9-17-15(18-14)6-8-16/h4-5,7,9H,6,8,16H2,1-3H3
InChIKeyJAGAUMUDELDPIF-UHFFFAOYSA-N
XLogP2.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 116897723
[4-(2,5-dimethylphenyl)pyrimidin-2-yl]methanamine
CID 82471015
2-[4-(1-benzofuran-3-yl)pyrimidin-2-yl]ethanamine
CID 116897728
2-(4-ethoxypyrimidin-2-yl)ethanamine
CID 112639157
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899554
2-[4-(5-chlorothiophen-2-yl)pyrimidin-2-yl]ethanamine
CID 82477239
2-(4-bromopyrimidin-2-yl)ethanamine
CID 105454055
[4-(2,3,5,6-tetramethylphenyl)pyrimidin-2-yl]methanamine
CID 82477561
2-(8,9-dimethylpyrimido[4,5-b]quinolin-2-yl)ethanamine
CID 84634645
2-[4-(3,4-dimethylphenyl)pyrimidin-2-yl]ethanol
CID 116899537
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 96664973

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine (CID 116897730) is 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine is Cc1ccc(-c2ccnc(CCN)n2)c(C)c1C.
What is the InChIKey of 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is JAGAUMUDELDPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-10-4-5-13(12(3)11(10)2)14-7-9-17-15(18-14)6-8-16/h4-5,7,9H,6,8,16H2,1-3H3.
What are the key properties of 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine?
2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 241.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3,4-trimethylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 116897730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).