5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C13H15N5S — CID 3432898

IUPAC5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nccn3C)nc2n1
InChIInChI=1S/C13H15N5S/c1-9-6-10(2)18-7-11(16-12(18)15-9)8-19-13-14-4-5-17(13)3/h4-7H,8H2,1-3H3
InChIKeyFPQUKJGKNQGQNK-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.37
Rot. Bonds3

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

5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 3432898) has the molecular formula C13H15N5S and a molecular weight of 273.37 g/mol. Its IUPAC name is 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID3432898
Molecular FormulaC13H15N5S
Molecular Weight273.37 g/mol
Exact Mass273.10
IUPAC Name5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1cc(C)n2cc(CSc3nccn3C)nc2n1
InChIInChI=1S/C13H15N5S/c1-9-6-10(2)18-7-11(16-12(18)15-9)8-19-13-14-4-5-17(13)3/h4-7H,8H2,1-3H3
InChIKeyFPQUKJGKNQGQNK-UHFFFAOYSA-N
XLogP2.37
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-Dimethyl-pyrimidin-2-ylsulfanylmethyl)-5,7-dimethyl-imidazo[1,2-a]pyrimidine
CID 915816
5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-(6-Ethyl-5-methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-4-methyl-1,3-thiazole
CID 14234972
2-(((1-methyl-1H-1,2,4-triazol-5-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 708772
2-{[(1-methyl-1H-tetrazol-5-yl)thio]methyl}imidazo[1,2-a]pyrimidine
CID 708775
2-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-4,5-dihydro-1,3-thiazole
CID 2998062
2-[(1-Methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 2998592
5,7-Dimethyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 2999197
5-[(5,7-Dimethylimidazo[1,2-a]pyrimidin-2-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 3000019
3-Bromo-2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3731510
5,7-Dimethyl-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4304138
5,7-dimethyl-2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]imidazo[1,2-a]pyrimidine
CID 1523546

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 3432898) is 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1cc(C)n2cc(CSc3nccn3C)nc2n1.
What is the InChIKey of 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is FPQUKJGKNQGQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S/c1-9-6-10(2)18-7-11(16-12(18)15-9)8-19-13-14-4-5-17(13)3/h4-7H,8H2,1-3H3.
What are the key properties of 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 273.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 3432898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).