N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline

C20H18N4 — CID 121335716

IUPACN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
SMILESCc1ccc(C)c(Nc2ccc(-c3cn4cccnc4n3)cc2)c1
InChIInChI=1S/C20H18N4/c1-14-4-5-15(2)18(12-14)22-17-8-6-16(7-9-17)19-13-24-11-3-10-21-20(24)23-19/h3-13,22H,1-2H3
InChIKeyNSKTZUTYXHZPPT-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.76
Rot. Bonds3

About N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline

N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline (PubChem CID 121335716) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline.

Molecular Properties

Compound NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
PubChem CID121335716
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC NameN-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline
SMILESCc1ccc(C)c(Nc2ccc(-c3cn4cccnc4n3)cc2)c1
InChIInChI=1S/C20H18N4/c1-14-4-5-15(2)18(12-14)22-17-8-6-16(7-9-17)19-13-24-11-3-10-21-20(24)23-19/h3-13,22H,1-2H3
InChIKeyNSKTZUTYXHZPPT-UHFFFAOYSA-N
XLogP4.76
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-2,5-dimethylbenzamide
CID 121033035
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzenesulfonamide
CID 121028727
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,4-dimethylbenzamide
CID 121033061
[3-(4-imidazo[1,2-a]pyrimidin-2-ylanilino)phenyl]methanol
CID 121335722
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)-4-iodobenzenesulfonamide
CID 121055508
(E)-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2-(4-methylphenyl)ethenesulfonamide
CID 122285710
3-bromo-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080226
2-ethyl-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)butanamide
CID 7080196
1-(2-fluorophenyl)-3-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)urea
CID 121033147
4-fluoro-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzenesulfonamide
CID 22581302
2,4-dichloro-N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-5-methylbenzenesulfonamide
CID 122285702
N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)cyclopentanecarboxamide
CID 7080197

Frequently Asked Questions

What is the IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline?
The IUPAC name of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline (CID 121335716) is N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline.
What is the SMILES notation for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline?
The canonical SMILES for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline is Cc1ccc(C)c(Nc2ccc(-c3cn4cccnc4n3)cc2)c1.
What is the InChIKey of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline?
The InChIKey is NSKTZUTYXHZPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-4-5-15(2)18(12-14)22-17-8-6-16(7-9-17)19-13-24-11-3-10-21-20(24)23-19/h3-13,22H,1-2H3.
What are the key properties of N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline?
N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline has a molecular weight of 314.39 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazo[1,2-a]pyrimidin-2-ylphenyl)-2,5-dimethylaniline is sourced from PubChem (CID 121335716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).