2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

C12H12N6S — CID 20787304

IUPAC2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1nnc(SCc2cn3cccnc3n2)nc1C
InChIInChI=1S/C12H12N6S/c1-8-9(2)16-17-12(14-8)19-7-10-6-18-5-3-4-13-11(18)15-10/h3-6H,7H2,1-2H3
InChIKeyDJYBCJQHTGRBOT-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.82
Rot. Bonds3

About 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine

2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (PubChem CID 20787304) has the molecular formula C12H12N6S and a molecular weight of 272.34 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
PubChem CID20787304
Molecular FormulaC12H12N6S
Molecular Weight272.34 g/mol
Exact Mass272.08
IUPAC Name2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
SMILESCc1nnc(SCc2cn3cccnc3n2)nc1C
InChIInChI=1S/C12H12N6S/c1-8-9(2)16-17-12(14-8)19-7-10-6-18-5-3-4-13-11(18)15-10/h3-6H,7H2,1-2H3
InChIKeyDJYBCJQHTGRBOT-UHFFFAOYSA-N
XLogP1.82
TPSA68.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine (CID 20787304) is 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is Cc1nnc(SCc2cn3cccnc3n2)nc1C.
What is the InChIKey of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
The InChIKey is DJYBCJQHTGRBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6S/c1-8-9(2)16-17-12(14-8)19-7-10-6-18-5-3-4-13-11(18)15-10/h3-6H,7H2,1-2H3.
What are the key properties of 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine?
2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine has a molecular weight of 272.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-1,2,4-triazin-3-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 20787304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).