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

C6H7Cl2N3S — CID 88739746

IUPAC5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1nc(SC)nc(Cl)c1Cl
InChIInChI=1S/C6H7Cl2N3S/c1-9-5-3(7)4(8)10-6(11-5)12-2/h1-2H3,(H,9,10,11)
InChIKeyUOFAKGSFFCHNNT-UHFFFAOYSA-N
MW224.12 g/mol
LogP2.55
Rot. Bonds2

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

5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine (PubChem CID 88739746) has the molecular formula C6H7Cl2N3S and a molecular weight of 224.12 g/mol. Its IUPAC name is 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
PubChem CID88739746
Molecular FormulaC6H7Cl2N3S
Molecular Weight224.12 g/mol
Exact Mass222.97
IUPAC Name5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine
SMILESCNc1nc(SC)nc(Cl)c1Cl
InChIInChI=1S/C6H7Cl2N3S/c1-9-5-3(7)4(8)10-6(11-5)12-2/h1-2H3,(H,9,10,11)
InChIKeyUOFAKGSFFCHNNT-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The IUPAC name of 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine (CID 88739746) is 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The canonical SMILES for 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine is CNc1nc(SC)nc(Cl)c1Cl.
What is the InChIKey of 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
The InChIKey is UOFAKGSFFCHNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2N3S/c1-9-5-3(7)4(8)10-6(11-5)12-2/h1-2H3,(H,9,10,11).
What are the key properties of 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine?
5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine has a molecular weight of 224.12 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-methyl-2-methylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 88739746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).