4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

C12H13ClN4S — CID 55125153

IUPAC4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccccc1Sc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13ClN4S/c1-8-6-4-5-7-9(8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3
InChIKeyGAGOOZXTOIMAFH-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.05
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 55125153) has the molecular formula C12H13ClN4S and a molecular weight of 280.78 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID55125153
Molecular FormulaC12H13ClN4S
Molecular Weight280.78 g/mol
Exact Mass280.05
IUPAC Name4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccccc1Sc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H13ClN4S/c1-8-6-4-5-7-9(8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3
InChIKeyGAGOOZXTOIMAFH-UHFFFAOYSA-N
XLogP3.05
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 55125153) is 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is Cc1ccccc1Sc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is GAGOOZXTOIMAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4S/c1-8-6-4-5-7-9(8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 280.78 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55125153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).