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

C5H5Cl2N3OS — CID 90303757

IUPAC5,6-dichloro-2-methylsulfinylpyrimidin-4-amine
SMILESCS(=O)c1nc(N)c(Cl)c(Cl)n1
InChIInChI=1S/C5H5Cl2N3OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyYUWCFNYNZBJKAZ-UHFFFAOYSA-N
MW226.09 g/mol
LogP1.10
Rot. Bonds1

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

5,6-dichloro-2-methylsulfinylpyrimidin-4-amine (PubChem CID 90303757) has the molecular formula C5H5Cl2N3OS and a molecular weight of 226.09 g/mol. Its IUPAC name is 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-2-methylsulfinylpyrimidin-4-amine
PubChem CID90303757
Molecular FormulaC5H5Cl2N3OS
Molecular Weight226.09 g/mol
Exact Mass224.95
IUPAC Name5,6-dichloro-2-methylsulfinylpyrimidin-4-amine
SMILESCS(=O)c1nc(N)c(Cl)c(Cl)n1
InChIInChI=1S/C5H5Cl2N3OS/c1-12(11)5-9-3(7)2(6)4(8)10-5/h1H3,(H2,8,9,10)
InChIKeyYUWCFNYNZBJKAZ-UHFFFAOYSA-N
XLogP1.10
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-6-chloro-2-(methylsulfanyl)pyrimidin-4-amine
CID 12369427
4,6-Dichloro-5-methyl-2-(methylsulfonyl)pyrimidine
CID 57757768
5-Bromo-6-chloro-2-methanesulfinylpyrimidin-4-amine
CID 86677016
6-Chloro-5-iodo-2-(methylthio)pyrimidin-4-amine
CID 319467
6-chloro-5-methyl-2-(methylthio)-4-Pyrimidinamine
CID 20343194
6-Chloro-5-fluoro-2-(methylsulfanyl)pyrimidin-4-amine
CID 129164600
6-Chloro-5-fluoro-2-methanesulfonylpyrimidin-4-amine
CID 129164603
6-Chloro-2-methylsulfinylpyrimidin-4-amine
CID 15563630
6-Chloro-5-methyl-2-methylsulfinylpyrimidin-4-amine;hydrochloride
CID 20343191
6-Chloro-5-methyl-2-methylsulfinylpyrimidin-4-amine
CID 20343192
6-Chloro-5-methyl-2-methylsulfanylpyrimidin-4-amine;hydrochloride
CID 20343193
6-Chloro-5-methyl-2-methylsulfonylpyrimidin-4-amine
CID 20343197

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine (CID 90303757) is 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine is CS(=O)c1nc(N)c(Cl)c(Cl)n1.
What is the InChIKey of 5,6-dichloro-2-methylsulfinylpyrimidin-4-amine?
The InChIKey is YUWCFNYNZBJKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Cl2N3OS/c1-12(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-methylsulfinylpyrimidin-4-amine?
5,6-dichloro-2-methylsulfinylpyrimidin-4-amine has a molecular weight of 226.09 g/mol, XLogP of 1.10, 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-methylsulfinylpyrimidin-4-amine is sourced from PubChem (CID 90303757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).