[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine

C20H21N3O2 — CID 16643394

IUPAC[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1Oc1cc(-c2ccccc2)nc(C)n1
InChIInChI=1S/C20H21N3O2/c1-3-24-19-11-15(13-21)9-10-18(19)25-20-12-17(22-14(2)23-20)16-7-5-4-6-8-16/h4-12H,3,13,21H2,1-2H3
InChIKeyBNMHMTWEBSWEPT-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.10
Rot. Bonds6

About [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine

[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 16643394) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID16643394
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine
SMILESCCOc1cc(CN)ccc1Oc1cc(-c2ccccc2)nc(C)n1
InChIInChI=1S/C20H21N3O2/c1-3-24-19-11-15(13-21)9-10-18(19)25-20-12-17(22-14(2)23-20)16-7-5-4-6-8-16/h4-12H,3,13,21H2,1-2H3
InChIKeyBNMHMTWEBSWEPT-UHFFFAOYSA-N
XLogP4.10
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine 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 [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine (CID 16643394) is [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine is CCOc1cc(CN)ccc1Oc1cc(-c2ccccc2)nc(C)n1.
What is the InChIKey of [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is BNMHMTWEBSWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-3-24-19-11-15(13-21)9-10-18(19)25-20-12-17(22-14(2)23-20)16-7-5-4-6-8-16/h4-12H,3,13,21H2,1-2H3.
What are the key properties of [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine?
[3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 335.41 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-ethoxy-4-(2-methyl-6-phenylpyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 16643394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).