2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine

C15H19N3O — CID 96664975

IUPAC2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
SMILESCCOc1ccc(-c2ccnc(CCN)n2)cc1C
InChIInChI=1S/C15H19N3O/c1-3-19-14-5-4-12(10-11(14)2)13-7-9-17-15(18-13)6-8-16/h4-5,7,9-10H,3,6,8,16H2,1-2H3
InChIKeyHWOCXPJKPBPKGQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds5

About 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine

2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine (PubChem CID 96664975) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
PubChem CID96664975
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
SMILESCCOc1ccc(-c2ccnc(CCN)n2)cc1C
InChIInChI=1S/C15H19N3O/c1-3-19-14-5-4-12(10-11(14)2)13-7-9-17-15(18-13)6-8-16/h4-5,7,9-10H,3,6,8,16H2,1-2H3
InChIKeyHWOCXPJKPBPKGQ-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine (CID 96664975) is 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine is CCOc1ccc(-c2ccnc(CCN)n2)cc1C.
What is the InChIKey of 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine?
The InChIKey is HWOCXPJKPBPKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-3-19-14-5-4-12(10-11(14)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-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine?
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine has a molecular weight of 257.34 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine is sourced from PubChem (CID 96664975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).