N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine

C21H22N4S — CID 42740298

IUPACN-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3sccc3C)nc2n1
InChIInChI=1S/C21H22N4S/c1-12-7-6-8-13(2)17(12)23-20-18(19-14(3)9-10-26-19)24-21-22-15(4)11-16(5)25(20)21/h6-11,23H,1-5H3
InChIKeyBUXBIHHBNOCQBX-UHFFFAOYSA-N
MW362.50 g/mol
LogP5.74
Rot. Bonds3

About N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine

N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine (PubChem CID 42740298) has the molecular formula C21H22N4S and a molecular weight of 362.50 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine
PubChem CID42740298
Molecular FormulaC21H22N4S
Molecular Weight362.50 g/mol
Exact Mass362.16
IUPAC NameN-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3sccc3C)nc2n1
InChIInChI=1S/C21H22N4S/c1-12-7-6-8-13(2)17(12)23-20-18(19-14(3)9-10-26-19)24-21-22-15(4)11-16(5)25(20)21/h6-11,23H,1-5H3
InChIKeyBUXBIHHBNOCQBX-UHFFFAOYSA-N
XLogP5.74
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.50
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyridin-3-amine
CID 809322
N-cyclohexyl-5,7-dimethyl-2-thiophen-2-ylimidazo[1,2-a]pyrimidin-3-amine
CID 42740264
6-(2,6-difluorophenyl)-N-(2,6-dimethylphenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579087
N-(2,6-dimethylphenyl)-5,7-dimethyl-2-pyridin-2-ylimidazo[1,2-a]pyridin-3-amine
CID 809365
N-(2-chloro-6-methylphenyl)-6-(2,6-difluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazol-5-amine
CID 59579091
2-(2,6-difluoro-4-methoxyphenyl)-N-(2,6-dimethylphenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59578866
2-(3-anilino-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-5-bromophenol
CID 20851735
N-(2,6-dimethylphenyl)-2-(4-fluoro-2-iodophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 70832098
3,5,7-trimethyl-2-(4-methylphenyl)imidazo[1,2-a]pyrimidine
CID 115281773
N-(2,6-dimethylphenyl)-2-(furan-2-yl)imidazo[1,2-a]pyrimidin-3-amine
CID 42740280
N-(2,6-dimethylphenyl)-6-(2-fluoro-6-methylphenyl)-2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-amine
CID 71016402
N-(2-chloro-6-methylphenyl)-2-(2-fluorophenyl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 59579102

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine (CID 42740298) is N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine is Cc1cc(C)n2c(Nc3c(C)cccc3C)c(-c3sccc3C)nc2n1.
What is the InChIKey of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is BUXBIHHBNOCQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4S/c1-12-7-6-8-13(2)17(12)23-20-18(19-14(3)9-10-26-19)24-21-22-15(4)11-16(5)25(20)21/h6-11,23H,1-5H3.
What are the key properties of N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine?
N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 362.50 g/mol, XLogP of 5.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-5,7-dimethyl-2-(3-methylthiophen-2-yl)imidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 42740298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).