1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine

C21H23N3O2 — CID 16643359

IUPAC1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1Oc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C21H23N3O2/c1-3-25-20-12-16(11-15(2)22)9-10-19(20)26-21-13-18(23-14-24-21)17-7-5-4-6-8-17/h4-10,12-15H,3,11,22H2,1-2H3
InChIKeyRWDCVIYLWKNZAC-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.22
Rot. Bonds7

About 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine

1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine (PubChem CID 16643359) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine
PubChem CID16643359
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine
SMILESCCOc1cc(CC(C)N)ccc1Oc1cc(-c2ccccc2)ncn1
InChIInChI=1S/C21H23N3O2/c1-3-25-20-12-16(11-15(2)22)9-10-19(20)26-21-13-18(23-14-24-21)17-7-5-4-6-8-17/h4-10,12-15H,3,11,22H2,1-2H3
InChIKeyRWDCVIYLWKNZAC-UHFFFAOYSA-N
XLogP4.22
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-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 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
The IUPAC name of 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine (CID 16643359) is 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine.
What is the SMILES notation for 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
The canonical SMILES for 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine is CCOc1cc(CC(C)N)ccc1Oc1cc(-c2ccccc2)ncn1.
What is the InChIKey of 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
The InChIKey is RWDCVIYLWKNZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-25-20-12-16(11-15(2)22)9-10-19(20)26-21-13-18(23-14-24-21)17-7-5-4-6-8-17/h4-10,12-15H,3,11,22H2,1-2H3.
What are the key properties of 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine?
1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine has a molecular weight of 349.43 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethoxy-4-(6-phenylpyrimidin-4-yl)oxyphenyl]propan-2-amine is sourced from PubChem (CID 16643359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).