4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine

C7H10Cl2N4S — CID 112663047

IUPAC4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
SMILESCSCCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H10Cl2N4S/c1-13(3-4-14-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3
InChIKeyYULHNJFHRNGKIA-UHFFFAOYSA-N
MW253.16 g/mol
LogP1.98
Rot. Bonds4

About 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine (PubChem CID 112663047) has the molecular formula C7H10Cl2N4S and a molecular weight of 253.16 g/mol. Its IUPAC name is 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
PubChem CID112663047
Molecular FormulaC7H10Cl2N4S
Molecular Weight253.16 g/mol
Exact Mass252.00
IUPAC Name4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine
SMILESCSCCN(C)c1nc(Cl)nc(Cl)n1
InChIInChI=1S/C7H10Cl2N4S/c1-13(3-4-14-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3
InChIKeyYULHNJFHRNGKIA-UHFFFAOYSA-N
XLogP1.98
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine (CID 112663047) is 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine is CSCCN(C)c1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine?
The InChIKey is YULHNJFHRNGKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10Cl2N4S/c1-13(3-4-14-2)7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine has a molecular weight of 253.16 g/mol, XLogP of 1.98, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-methyl-N-(2-methylsulfanylethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 112663047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).