4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine

C10H11ClN6S — CID 1087037

IUPAC4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)
InChIKeyKHQHWQNZCRFDDR-UHFFFAOYSA-N
MW282.76 g/mol
LogP2.12
Rot. Bonds3

About 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine

4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 1087037) has the molecular formula C10H11ClN6S and a molecular weight of 282.76 g/mol. Its IUPAC name is 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
PubChem CID1087037
Molecular FormulaC10H11ClN6S
Molecular Weight282.76 g/mol
Exact Mass282.05
IUPAC Name4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17)
InChIKeyKHQHWQNZCRFDDR-UHFFFAOYSA-N
XLogP2.12
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.76
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine (CID 1087037) is 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine is CNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1.
What is the InChIKey of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is KHQHWQNZCRFDDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN6S/c1-5-4-6(2)14-9(13-5)18-10-16-7(11)15-8(12-3)17-10/h4H,1-3H3,(H,12,15,16,17).
What are the key properties of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine?
4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 282.76 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 1087037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).