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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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).