6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine

C5H5ClFN3S — CID 129164600

IUPAC6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)c(F)c(Cl)n1
InChIInChI=1S/C5H5ClFN3S/c1-11-5-9-3(6)2(7)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyFNBTVSSTPCUBMW-UHFFFAOYSA-N
MW193.63 g/mol
LogP1.57
Rot. Bonds1

About 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine

6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 129164600) has the molecular formula C5H5ClFN3S and a molecular weight of 193.63 g/mol. Its IUPAC name is 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine
PubChem CID129164600
Molecular FormulaC5H5ClFN3S
Molecular Weight193.63 g/mol
Exact Mass192.99
IUPAC Name6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)c(F)c(Cl)n1
InChIInChI=1S/C5H5ClFN3S/c1-11-5-9-3(6)2(7)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyFNBTVSSTPCUBMW-UHFFFAOYSA-N
XLogP1.57
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.63
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Amino-6-chloro-2-methylthiopyrimidine
CID 70496
4,6-Dichloro-5-methyl-2-(methylthio)pyrimidine
CID 22002465
5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-amine
CID 12369427
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
6-Chloro-5-fluoro-2-methylpyrimidin-4-amine
CID 55283624
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
4,6-Dichloro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 59405055
4,6-Dichloro-5-fluoro-2-methanesulfonylpyrimidine
CID 86616257
5-Bromo-6-chloro-2-methanesulfinylpyrimidin-4-amine
CID 86677016
4-Chloro-6-fluoro-2-(methylsulfanyl)pyrimidine
CID 134202157
6-Chloro-5-iodo-2-(methylthio)pyrimidin-4-amine
CID 319467
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine (CID 129164600) is 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)c(F)c(Cl)n1.
What is the InChIKey of 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is FNBTVSSTPCUBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN3S/c1-11-5-9-3(6)2(7)4(8)10-5/h1H3,(H2,8,9,10).
What are the key properties of 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine?
6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 193.63 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-fluoro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 129164600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).