6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine

C15H19N3O — CID 80975228

IUPAC6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCOc1ccc(-c2nc(CC)nc(N)c2C)cc1
InChIInChI=1S/C15H19N3O/c1-4-13-17-14(10(3)15(16)18-13)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyMSFVUFDWGJCJKU-UHFFFAOYSA-N
MW257.34 g/mol
LogP3.00
Rot. Bonds4

About 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine

6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine (PubChem CID 80975228) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
PubChem CID80975228
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine
SMILESCCOc1ccc(-c2nc(CC)nc(N)c2C)cc1
InChIInChI=1S/C15H19N3O/c1-4-13-17-14(10(3)15(16)18-13)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyMSFVUFDWGJCJKU-UHFFFAOYSA-N
XLogP3.00
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine 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 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine (CID 80975228) is 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine is CCOc1ccc(-c2nc(CC)nc(N)c2C)cc1.
What is the InChIKey of 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
The InChIKey is MSFVUFDWGJCJKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-13-17-14(10(3)15(16)18-13)11-6-8-12(9-7-11)19-5-2/h6-9H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine?
6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethoxyphenyl)-2-ethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 80975228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).