3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine

C9H11N3S2 — CID 13339915

IUPAC3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine
SMILESCSc1cc2cnc(C)n2c(SC)n1
InChIInChI=1S/C9H11N3S2/c1-6-10-5-7-4-8(13-2)11-9(14-3)12(6)7/h4-5H,1-3H3
InChIKeyXFUUAYHXHUGUAI-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.48
Rot. Bonds2

About 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine

3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine (PubChem CID 13339915) has the molecular formula C9H11N3S2 and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine.

Molecular Properties

Compound Name3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine
PubChem CID13339915
Molecular FormulaC9H11N3S2
Molecular Weight225.34 g/mol
Exact Mass225.04
IUPAC Name3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine
SMILESCSc1cc2cnc(C)n2c(SC)n1
InChIInChI=1S/C9H11N3S2/c1-6-10-5-7-4-8(13-2)11-9(14-3)12(6)7/h4-5H,1-3H3
InChIKeyXFUUAYHXHUGUAI-UHFFFAOYSA-N
XLogP2.48
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine?
The IUPAC name of 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine (CID 13339915) is 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine.
What is the SMILES notation for 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine?
The canonical SMILES for 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine is CSc1cc2cnc(C)n2c(SC)n1.
What is the InChIKey of 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine?
The InChIKey is XFUUAYHXHUGUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3S2/c1-6-10-5-7-4-8(13-2)11-9(14-3)12(6)7/h4-5H,1-3H3.
What are the key properties of 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine?
3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine has a molecular weight of 225.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5,7-bis(methylsulfanyl)imidazo[1,5-c]pyrimidine is sourced from PubChem (CID 13339915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).