4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine

C18H14N6 — CID 5329432

IUPAC4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine
SMILESc1ccc(-c2nccn2-c2ccnc(Nc3ccncc3)n2)cc1
InChIInChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-20-12-13-24(17)16-8-11-21-18(23-16)22-15-6-9-19-10-7-15/h1-13H,(H,19,21,22,23)
InChIKeyCYTHOJJDWBEAMO-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.47
Rot. Bonds4

About 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine

4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine (PubChem CID 5329432) has the molecular formula C18H14N6 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine
PubChem CID5329432
Molecular FormulaC18H14N6
Molecular Weight314.35 g/mol
Exact Mass314.13
IUPAC Name4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine
SMILESc1ccc(-c2nccn2-c2ccnc(Nc3ccncc3)n2)cc1
InChIInChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-20-12-13-24(17)16-8-11-21-18(23-16)22-15-6-9-19-10-7-15/h1-13H,(H,19,21,22,23)
InChIKeyCYTHOJJDWBEAMO-UHFFFAOYSA-N
XLogP3.47
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-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-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine (CID 5329432) is 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine is c1ccc(-c2nccn2-c2ccnc(Nc3ccncc3)n2)cc1.
What is the InChIKey of 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is CYTHOJJDWBEAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N6/c1-2-4-14(5-3-1)17-20-12-13-24(17)16-8-11-21-18(23-16)22-15-6-9-19-10-7-15/h1-13H,(H,19,21,22,23).
What are the key properties of 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine?
4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 314.35 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylimidazol-1-yl)-N-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 5329432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).