2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine

C9H8ClFN4S — CID 79075812

IUPAC2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine
SMILESCc1cc(Sc2nc(Cl)ncc2F)n(C)n1
InChIInChI=1S/C9H8ClFN4S/c1-5-3-7(15(2)14-5)16-8-6(11)4-12-9(10)13-8/h3-4H,1-2H3
InChIKeyCQJIZPRKYBUHDG-UHFFFAOYSA-N
MW258.71 g/mol
LogP2.46
Rot. Bonds2

About 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine

2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine (PubChem CID 79075812) has the molecular formula C9H8ClFN4S and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine
PubChem CID79075812
Molecular FormulaC9H8ClFN4S
Molecular Weight258.71 g/mol
Exact Mass258.01
IUPAC Name2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine
SMILESCc1cc(Sc2nc(Cl)ncc2F)n(C)n1
InChIInChI=1S/C9H8ClFN4S/c1-5-3-7(15(2)14-5)16-8-6(11)4-12-9(10)13-8/h3-4H,1-2H3
InChIKeyCQJIZPRKYBUHDG-UHFFFAOYSA-N
XLogP2.46
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine?
The IUPAC name of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine (CID 79075812) is 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine.
What is the SMILES notation for 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine?
The canonical SMILES for 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine is Cc1cc(Sc2nc(Cl)ncc2F)n(C)n1.
What is the InChIKey of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine?
The InChIKey is CQJIZPRKYBUHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4S/c1-5-3-7(15(2)14-5)16-8-6(11)4-12-9(10)13-8/h3-4H,1-2H3.
What are the key properties of 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine?
2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine has a molecular weight of 258.71 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-5-fluoropyrimidine is sourced from PubChem (CID 79075812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).