N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine

C20H18N4 — CID 20952793

IUPACN-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(CNc2c(-c3ccccc3)nc3ncccn23)cc1
InChIInChI=1S/C20H18N4/c1-15-8-10-16(11-9-15)14-22-19-18(17-6-3-2-4-7-17)23-20-21-12-5-13-24(19)20/h2-13,22H,14H2,1H3
InChIKeyORJMJTOKKMDUBJ-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.32
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine

N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 20952793) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID20952793
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1ccc(CNc2c(-c3ccccc3)nc3ncccn23)cc1
InChIInChI=1S/C20H18N4/c1-15-8-10-16(11-9-15)14-22-19-18(17-6-3-2-4-7-17)23-20-21-12-5-13-24(19)20/h2-13,22H,14H2,1H3
InChIKeyORJMJTOKKMDUBJ-UHFFFAOYSA-N
XLogP4.32
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-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 N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine (CID 20952793) is N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine is Cc1ccc(CNc2c(-c3ccccc3)nc3ncccn23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is ORJMJTOKKMDUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-15-8-10-16(11-9-15)14-22-19-18(17-6-3-2-4-7-17)23-20-21-12-5-13-24(19)20/h2-13,22H,14H2,1H3.
What are the key properties of N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine?
N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 314.39 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-phenylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 20952793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).