5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

C8H11Cl2N3S — CID 88769703

IUPAC5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1nc(Cl)c(Cl)c(NC(C)C)n1
InChIInChI=1S/C8H11Cl2N3S/c1-4(2)11-7-5(9)6(10)12-8(13-7)14-3/h4H,1-3H3,(H,11,12,13)
InChIKeyYHDXTJJZEOVTDJ-UHFFFAOYSA-N
MW252.17 g/mol
LogP3.33
Rot. Bonds3

About 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 88769703) has the molecular formula C8H11Cl2N3S and a molecular weight of 252.17 g/mol. Its IUPAC name is 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
PubChem CID88769703
Molecular FormulaC8H11Cl2N3S
Molecular Weight252.17 g/mol
Exact Mass251.01
IUPAC Name5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
SMILESCSc1nc(Cl)c(Cl)c(NC(C)C)n1
InChIInChI=1S/C8H11Cl2N3S/c1-4(2)11-7-5(9)6(10)12-8(13-7)14-3/h4H,1-3H3,(H,11,12,13)
InChIKeyYHDXTJJZEOVTDJ-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.17
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (CID 88769703) is 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is CSc1nc(Cl)c(Cl)c(NC(C)C)n1.
What is the InChIKey of 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is YHDXTJJZEOVTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11Cl2N3S/c1-4(2)11-7-5(9)6(10)12-8(13-7)14-3/h4H,1-3H3,(H,11,12,13).
What are the key properties of 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?
5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 252.17 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 88769703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).