5,6-dichloro-2-methylsulfanylpyrimidin-4-amine

C5H5Cl2N3S — CID 88738842

IUPAC5,6-dichloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)c(Cl)c(Cl)n1
InChIInChI=1S/C5H5Cl2N3S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyCBILNODYOHMUHW-UHFFFAOYSA-N
MW210.09 g/mol
LogP2.09
Rot. Bonds1

About 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine

5,6-dichloro-2-methylsulfanylpyrimidin-4-amine (PubChem CID 88738842) has the molecular formula C5H5Cl2N3S and a molecular weight of 210.09 g/mol. Its IUPAC name is 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-2-methylsulfanylpyrimidin-4-amine
PubChem CID88738842
Molecular FormulaC5H5Cl2N3S
Molecular Weight210.09 g/mol
Exact Mass208.96
IUPAC Name5,6-dichloro-2-methylsulfanylpyrimidin-4-amine
SMILESCSc1nc(N)c(Cl)c(Cl)n1
InChIInChI=1S/C5H5Cl2N3S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyCBILNODYOHMUHW-UHFFFAOYSA-N
XLogP2.09
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.09
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-4,6-dichloro-2-(methylthio)pyrimidine
CID 261187
4,6-Dichloro-5-methyl-2-(methylthio)pyrimidine
CID 22002465
4,5,6-Trichloropyrimidin-2-amine
CID 345630
5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-amine
CID 12369427
4,6-Dichloro-5-fluoro-2-(methylsulfanyl)pyrimidine
CID 22378277
4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
CID 57742486
4,6-Dichloro-5-iodo-2-(methylsulfanyl)pyrimidine
CID 59405055
5-Bromo-6-chloro-2-methanesulfinylpyrimidin-4-amine
CID 86677016
6-Chloro-5-iodo-2-(methylthio)pyrimidin-4-amine
CID 319467
4-Amino-6-chloro-2-(methylthio)-5-pyrimidinecarbonitrile
CID 4093159
6-chloro-5-methyl-2-(methylthio)-4-Pyrimidinamine
CID 20343194
Tioclorim
CID 50262

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine (CID 88738842) is 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine is CSc1nc(N)c(Cl)c(Cl)n1.
What is the InChIKey of 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is CBILNODYOHMUHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3S/c1-11-5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10).
What are the key properties of 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine?
5,6-dichloro-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 210.09 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 88738842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).