7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C8H5ClF3N3S — CID 59313017

IUPAC7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCSc1nc(Cl)cc2nc(C(F)(F)F)cn12
InChIInChI=1S/C8H5ClF3N3S/c1-16-7-14-5(9)2-6-13-4(3-15(6)7)8(10,11)12/h2-3H,1H3
InChIKeyMAJFYNIQTCOAEE-UHFFFAOYSA-N
MW267.66 g/mol
LogP3.12
Rot. Bonds1

About 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine

7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 59313017) has the molecular formula C8H5ClF3N3S and a molecular weight of 267.66 g/mol. Its IUPAC name is 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID59313017
Molecular FormulaC8H5ClF3N3S
Molecular Weight267.66 g/mol
Exact Mass266.98
IUPAC Name7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCSc1nc(Cl)cc2nc(C(F)(F)F)cn12
InChIInChI=1S/C8H5ClF3N3S/c1-16-7-14-5(9)2-6-13-4(3-15(6)7)8(10,11)12/h2-3H,1H3
InChIKeyMAJFYNIQTCOAEE-UHFFFAOYSA-N
XLogP3.12
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.66
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 59313017) is 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is CSc1nc(Cl)cc2nc(C(F)(F)F)cn12.
What is the InChIKey of 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is MAJFYNIQTCOAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3N3S/c1-16-7-14-5(9)2-6-13-4(3-15(6)7)8(10,11)12/h2-3H,1H3.
What are the key properties of 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 267.66 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-methylsulfanyl-2-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 59313017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).