2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine

C17H21N3O — CID 80949016

IUPAC2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2OCC)nc(C2CC2)n1
InChIInChI=1S/C17H21N3O/c1-3-18-16-11-14(19-17(20-16)12-9-10-12)13-7-5-6-8-15(13)21-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19,20)
InChIKeyYKLMBOMQMBERTO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.85
Rot. Bonds6

About 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine

2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine (PubChem CID 80949016) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
PubChem CID80949016
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2ccccc2OCC)nc(C2CC2)n1
InChIInChI=1S/C17H21N3O/c1-3-18-16-11-14(19-17(20-16)12-9-10-12)13-7-5-6-8-15(13)21-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19,20)
InChIKeyYKLMBOMQMBERTO-UHFFFAOYSA-N
XLogP3.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-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 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine (CID 80949016) is 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine is CCNc1cc(-c2ccccc2OCC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
The InChIKey is YKLMBOMQMBERTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-18-16-11-14(19-17(20-16)12-9-10-12)13-7-5-6-8-15(13)21-4-2/h5-8,11-12H,3-4,9-10H2,1-2H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine?
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 80949016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).