4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine

C9H10ClFN2S — CID 80622633

IUPAC4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine
SMILESCc1nc(C2CCCS2)nc(Cl)c1F
InChIInChI=1S/C9H10ClFN2S/c1-5-7(11)8(10)13-9(12-5)6-3-2-4-14-6/h6H,2-4H2,1H3
InChIKeyWJBPAZCCBUCGSG-UHFFFAOYSA-N
MW232.71 g/mol
LogP3.15
Rot. Bonds1

About 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine

4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine (PubChem CID 80622633) has the molecular formula C9H10ClFN2S and a molecular weight of 232.71 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine
PubChem CID80622633
Molecular FormulaC9H10ClFN2S
Molecular Weight232.71 g/mol
Exact Mass232.02
IUPAC Name4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine
SMILESCc1nc(C2CCCS2)nc(Cl)c1F
InChIInChI=1S/C9H10ClFN2S/c1-5-7(11)8(10)13-9(12-5)6-3-2-4-14-6/h6H,2-4H2,1H3
InChIKeyWJBPAZCCBUCGSG-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.71
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Chloro-5,7-dihydro-2-methylthieno(3,4-d)pyrimidine
CID 79796
4-Chloro-5-fluoro-6-methyl-2-(propan-2-yl)pyrimidine
CID 62405850
4-Chloro-2-ethyl-5-fluoro-6-methylpyrimidine
CID 66000029
4-Chloro-6-methyl-2-[2-(methylsulfanyl)ethyl]pyrimidine
CID 165979919
4-Chloro-5-fluoro-2,6-dimethylpyrimidine
CID 62405851
4-Chloro-5-ethenylsulfanyl-6-methyl-2-(1,1,2,2,2-pentafluoroethyl)pyrimidine;ethane
CID 141800521
5-Fluoro-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65997780
4-Chloro-5-fluoro-6-methyl-2-propylpyrimidine
CID 65997835
4-Chloro-5-fluoro-6-methyl-2-(3-methylbutyl)pyrimidine
CID 65998043
2-(Butan-2-ylsulfanylmethyl)-5-fluoro-6-methylpyrimidin-4-amine
CID 65998178
4-Chloro-5-fluoro-6-methyl-2-(2-methylcyclopropyl)pyrimidine
CID 65998236
4-Chloro-5-fluoro-6-methyl-2-(propan-2-ylsulfanylmethyl)pyrimidine
CID 65998238

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine (CID 80622633) is 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine is Cc1nc(C2CCCS2)nc(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine?
The InChIKey is WJBPAZCCBUCGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN2S/c1-5-7(11)8(10)13-9(12-5)6-3-2-4-14-6/h6H,2-4H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine?
4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine has a molecular weight of 232.71 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-methyl-2-(thiolan-2-yl)pyrimidine is sourced from PubChem (CID 80622633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).