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

C11H13ClN6S — CID 936779

IUPAC4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C11H13ClN6S/c1-4-13-9-16-8(12)17-11(18-9)19-10-14-6(2)5-7(3)15-10/h5H,4H2,1-3H3,(H,13,16,17,18)
InChIKeyOBMHBKARSUYTAO-UHFFFAOYSA-N
MW296.79 g/mol
LogP2.51
Rot. Bonds4

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

4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 936779) has the molecular formula C11H13ClN6S and a molecular weight of 296.79 g/mol. Its IUPAC name is 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
PubChem CID936779
Molecular FormulaC11H13ClN6S
Molecular Weight296.79 g/mol
Exact Mass296.06
IUPAC Name4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C11H13ClN6S/c1-4-13-9-16-8(12)17-11(18-9)19-10-14-6(2)5-7(3)15-10/h5H,4H2,1-3H3,(H,13,16,17,18)
InChIKeyOBMHBKARSUYTAO-UHFFFAOYSA-N
XLogP2.51
TPSA76.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.79
LogP ≤ 52.51
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-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine (CID 936779) is 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(Sc2nc(C)cc(C)n2)n1.
What is the InChIKey of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is OBMHBKARSUYTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN6S/c1-4-13-9-16-8(12)17-11(18-9)19-10-14-6(2)5-7(3)15-10/h5H,4H2,1-3H3,(H,13,16,17,18).
What are the key properties of 4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 296.79 g/mol, XLogP of 2.51, 4 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-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 936779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).