4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine

C17H16N4O — CID 20855152

IUPAC4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cccc(N)c3)n2)cc1
InChIInChI=1S/C17H16N4O/c1-22-15-7-5-14(6-8-15)20-17-19-10-9-16(21-17)12-3-2-4-13(18)11-12/h2-11H,18H2,1H3,(H,19,20,21)
InChIKeyUYPUJNKDIZFXSD-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.48
Rot. Bonds4

About 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine

4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 20855152) has the molecular formula C17H16N4O and a molecular weight of 292.34 g/mol. Its IUPAC name is 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID20855152
Molecular FormulaC17H16N4O
Molecular Weight292.34 g/mol
Exact Mass292.13
IUPAC Name4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(Nc2nccc(-c3cccc(N)c3)n2)cc1
InChIInChI=1S/C17H16N4O/c1-22-15-7-5-14(6-8-15)20-17-19-10-9-16(21-17)12-3-2-4-13(18)11-12/h2-11H,18H2,1H3,(H,19,20,21)
InChIKeyUYPUJNKDIZFXSD-UHFFFAOYSA-N
XLogP3.48
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-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 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine (CID 20855152) is 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(Nc2nccc(-c3cccc(N)c3)n2)cc1.
What is the InChIKey of 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is UYPUJNKDIZFXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O/c1-22-15-7-5-14(6-8-15)20-17-19-10-9-16(21-17)12-3-2-4-13(18)11-12/h2-11H,18H2,1H3,(H,19,20,21).
What are the key properties of 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine?
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 292.34 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 20855152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).