2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine

C15H19N3O — CID 96664973

IUPAC2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
SMILESCCc1cc(-c2ccnc(CCN)n2)ccc1OC
InChIInChI=1S/C15H19N3O/c1-3-11-10-12(4-5-14(11)19-2)13-7-9-17-15(18-13)6-8-16/h4-5,7,9-10H,3,6,8,16H2,1-2H3
InChIKeyAJCHZHDQWNCNEJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.22
Rot. Bonds5

About 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine

2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 96664973) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
PubChem CID96664973
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
SMILESCCc1cc(-c2ccnc(CCN)n2)ccc1OC
InChIInChI=1S/C15H19N3O/c1-3-11-10-12(4-5-14(11)19-2)13-7-9-17-15(18-13)6-8-16/h4-5,7,9-10H,3,6,8,16H2,1-2H3
InChIKeyAJCHZHDQWNCNEJ-UHFFFAOYSA-N
XLogP2.22
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116899575
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]methanamine
CID 82475463
2-[4-(2,5-difluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanamine
CID 116897723
2-[3-(3-ethyl-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 96662993
2-[5-(3-ethyl-4-methoxyphenyl)-2-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96665628
[4-(4-ethoxy-3-fluorophenyl)pyrimidin-2-yl]methanamine
CID 82479798
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794
4-(3-ethyl-4-methoxyphenyl)-2-methyl-1,3-thiazole
CID 116967837
[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]methanethiol
CID 116900340
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 82481963

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine (CID 96664973) is 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine is CCc1cc(-c2ccnc(CCN)n2)ccc1OC.
What is the InChIKey of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is AJCHZHDQWNCNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-11-10-12(4-5-14(11)19-2)13-7-9-17-15(18-13)6-8-16/h4-5,7,9-10H,3,6,8,16H2,1-2H3.
What are the key properties of 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine?
2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-ethyl-4-methoxyphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 96664973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).