7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine

C8H8ClN3S — CID 126739563

IUPAC7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine
SMILESCSc1nc(Cl)c(C)c2nccn12
InChIInChI=1S/C8H8ClN3S/c1-5-6(9)11-8(13-2)12-4-3-10-7(5)12/h3-4H,1-2H3
InChIKeyHKBNNQJBPUHAQM-UHFFFAOYSA-N
MW213.69 g/mol
LogP2.41
Rot. Bonds1

About 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine

7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine (PubChem CID 126739563) has the molecular formula C8H8ClN3S and a molecular weight of 213.69 g/mol. Its IUPAC name is 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine
PubChem CID126739563
Molecular FormulaC8H8ClN3S
Molecular Weight213.69 g/mol
Exact Mass213.01
IUPAC Name7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine
SMILESCSc1nc(Cl)c(C)c2nccn12
InChIInChI=1S/C8H8ClN3S/c1-5-6(9)11-8(13-2)12-4-3-10-7(5)12/h3-4H,1-2H3
InChIKeyHKBNNQJBPUHAQM-UHFFFAOYSA-N
XLogP2.41
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.69
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine (CID 126739563) is 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine is CSc1nc(Cl)c(C)c2nccn12.
What is the InChIKey of 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine?
The InChIKey is HKBNNQJBPUHAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN3S/c1-5-6(9)11-8(13-2)12-4-3-10-7(5)12/h3-4H,1-2H3.
What are the key properties of 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine?
7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine has a molecular weight of 213.69 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-8-methyl-5-methylsulfanylimidazo[1,2-c]pyrimidine is sourced from PubChem (CID 126739563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).