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

C11H11N5S — CID 4616266

IUPAC2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCn1ccnc1SCc1cn2cccnc2n1
InChIInChI=1S/C11H11N5S/c1-15-6-4-13-11(15)17-8-9-7-16-5-2-3-12-10(16)14-9/h2-7H,8H2,1H3
InChIKeyAHQNPSVEZGVKIC-UHFFFAOYSA-N
MW245.31 g/mol
LogP1.76
Rot. Bonds3

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

2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 4616266) has the molecular formula C11H11N5S and a molecular weight of 245.31 g/mol. Its IUPAC name is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID4616266
Molecular FormulaC11H11N5S
Molecular Weight245.31 g/mol
Exact Mass245.07
IUPAC Name2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCn1ccnc1SCc1cn2cccnc2n1
InChIInChI=1S/C11H11N5S/c1-15-6-4-13-11(15)17-8-9-7-16-5-2-3-12-10(16)14-9/h2-7H,8H2,1H3
InChIKeyAHQNPSVEZGVKIC-UHFFFAOYSA-N
XLogP1.76
TPSA48.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.31
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyl-2-[(4-methylpyrimidin-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 3509877
2-[(1H-1,2,4-triazol-5-ylsulfanyl)methyl]imidazo[1,2-a]pyrimidine
CID 700172
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
2,3-Dimethylimidazo[1,2-a]pyrimidine
CID 23271151
1-(Imidazo[1,2-a]pyrimidin-3-ylmethylsulfanyl)propan-2-ol
CID 511758
3-(Ethylsulfanyl)imidazo[1,5-a]pyrazine
CID 298356
2-[(Imidazo[1,5-a]pyrazin-3-yl)sulfanyl]ethan-1-ol
CID 299315
3-(Methylsulfanyl)imidazo[1,5-a]pyrazine
CID 299860
2-(((4,6-Dimethylpyrimidin-2-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 694266
2-(((4-Methylpyrimidin-2-yl)thio)methyl)imidazo[1,2-a]pyrimidine
CID 700171
Ethoxy[({imidazo[1,2-A]pyrimidin-2-YL}methyl)sulfanyl]methanethione
CID 700179

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 4616266) is 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cn1ccnc1SCc1cn2cccnc2n1.
What is the InChIKey of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is AHQNPSVEZGVKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5S/c1-15-6-4-13-11(15)17-8-9-7-16-5-2-3-12-10(16)14-9/h2-7H,8H2,1H3.
What are the key properties of 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 245.31 g/mol, XLogP of 1.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylimidazol-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 4616266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).