2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine

C8H6ClFN4S — CID 79075592

IUPAC2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
SMILESCn1ccnc1Sc1nc(Cl)ncc1F
InChIInChI=1S/C8H6ClFN4S/c1-14-3-2-11-8(14)15-6-5(10)4-12-7(9)13-6/h2-4H,1H3
InChIKeyIZDQUSFQGWKOGI-UHFFFAOYSA-N
MW244.68 g/mol
LogP2.15
Rot. Bonds2

About 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine

2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine (PubChem CID 79075592) has the molecular formula C8H6ClFN4S and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
PubChem CID79075592
Molecular FormulaC8H6ClFN4S
Molecular Weight244.68 g/mol
Exact Mass244.00
IUPAC Name2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine
SMILESCn1ccnc1Sc1nc(Cl)ncc1F
InChIInChI=1S/C8H6ClFN4S/c1-14-3-2-11-8(14)15-6-5(10)4-12-7(9)13-6/h2-4H,1H3
InChIKeyIZDQUSFQGWKOGI-UHFFFAOYSA-N
XLogP2.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
The IUPAC name of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine (CID 79075592) is 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine is Cn1ccnc1Sc1nc(Cl)ncc1F.
What is the InChIKey of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
The InChIKey is IZDQUSFQGWKOGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4S/c1-14-3-2-11-8(14)15-6-5(10)4-12-7(9)13-6/h2-4H,1H3.
What are the key properties of 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine?
2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine has a molecular weight of 244.68 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-fluoro-4-(1-methylimidazol-2-yl)sulfanylpyrimidine is sourced from PubChem (CID 79075592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).