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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).