5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C16H17N3S — CID 747980

IUPAC5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccc(SCc2cn3c(C)cc(C)nc3n2)cc1
InChIInChI=1S/C16H17N3S/c1-11-4-6-15(7-5-11)20-10-14-9-19-13(3)8-12(2)17-16(19)18-14/h4-9H,10H2,1-3H3
InChIKeyQSFZSVAPJBCWFH-UHFFFAOYSA-N
MW283.40 g/mol
LogP3.95
Rot. Bonds3

About 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 747980) has the molecular formula C16H17N3S and a molecular weight of 283.40 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID747980
Molecular FormulaC16H17N3S
Molecular Weight283.40 g/mol
Exact Mass283.11
IUPAC Name5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1ccc(SCc2cn3c(C)cc(C)nc3n2)cc1
InChIInChI=1S/C16H17N3S/c1-11-4-6-15(7-5-11)20-10-14-9-19-13(3)8-12(2)17-16(19)18-14/h4-9H,10H2,1-3H3
InChIKeyQSFZSVAPJBCWFH-UHFFFAOYSA-N
XLogP3.95
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Zolimidine
CID 14652
1-Phenyl-3-p-tolyl-6,7-dihydro-5H-imidazo[2,1-b][1,3]thiazin-1-ium
CID 2873568
2-Phenylimidazo[1,2-a]pyrimidine
CID 204149
E6Clv6G2RR
CID 16750138
2-(4-Methylphenyl)imidazo[1,2-a]pyrimidine
CID 727295
SK&F 105809
CID 129725
5,7-dimethyl-2-((1-methyl-4-phenyl-1H-imidazol-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 44548780
2-((Pyridin-2-ylthio)methyl)imidazo[1,2-a]pyrimidine
CID 700162
2-(4-Chloro-phenylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 739934
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
2-Methyl-3-{2-[(4-methylbenzyl)thio]pyrimidin-4-yl}imidazo[1,2-a]pyridine
CID 2745491
(2-{[(7-Methylimidazo[1,2-a]pyridin-2-yl)methyl]thio}phenyl)amine
CID 1509139

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 747980) is 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1ccc(SCc2cn3c(C)cc(C)nc3n2)cc1.
What is the InChIKey of 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is QSFZSVAPJBCWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3S/c1-11-4-6-15(7-5-11)20-10-14-9-19-13(3)8-12(2)17-16(19)18-14/h4-9H,10H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 283.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 747980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).