4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine

C24H21N3O2 — CID 138392465

IUPAC4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1
InChIInChI=1S/C24H21N3O2/c1-28-20-12-19(13-21(14-20)29-2)23-15-22(26-24(25)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,25,26,27)
InChIKeyVOVAGOGOVJTQSH-UHFFFAOYSA-N
MW383.45 g/mol
LogP5.08
Rot. Bonds5

About 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine

4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine (PubChem CID 138392465) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine
PubChem CID138392465
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine
SMILESCOc1cc(OC)cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1
InChIInChI=1S/C24H21N3O2/c1-28-20-12-19(13-21(14-20)29-2)23-15-22(26-24(25)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,25,26,27)
InChIKeyVOVAGOGOVJTQSH-UHFFFAOYSA-N
XLogP5.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.45
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)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-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine (CID 138392465) is 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine is COc1cc(OC)cc(-c2cc(-c3ccc(-c4ccccc4)cc3)nc(N)n2)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
The InChIKey is VOVAGOGOVJTQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c1-28-20-12-19(13-21(14-20)29-2)23-15-22(26-24(25)27-23)18-10-8-17(9-11-18)16-6-4-3-5-7-16/h3-15H,1-2H3,(H2,25,26,27).
What are the key properties of 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine?
4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine has a molecular weight of 383.45 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-6-(4-phenylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 138392465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).