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

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Related Compounds

2-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]imidazo[1,2-a]pyrimidin-3-amine
CID 20952820
N-benzyl-2-(3-phenylmethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952842
N-(2-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 3655160
N-[(4-chlorophenyl)methyl]-2-(3-methoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 46342299
N-(2-ethyl-6-methylphenyl)-2-phenylimidazo[1,2-a]pyrimidin-3-amine
CID 20851747
N-benzyl-2-(2,5-dimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740240
N-benzyl-5,7-dimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740245
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]acetic acid
CID 82304788
N-(3-chloro-4-methylphenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 7338792
2-[2-(4-methylphenyl)imidazo[1,2-a]pyrimidin-3-yl]ethanamine
CID 82298177
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 20952833
4-[3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylamino)imidazo[1,2-a]pyrimidin-2-yl]-2-methoxyphenol
CID 58402606

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).