4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine

C12H12Cl2N4S — CID 103291573

IUPAC4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4S/c1-2-15-11-16-10(14)17-12(18-11)19-7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyCQIZWUBDCZYORB-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.90
Rot. Bonds5

About 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine

4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine (PubChem CID 103291573) has the molecular formula C12H12Cl2N4S and a molecular weight of 315.23 g/mol. Its IUPAC name is 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
PubChem CID103291573
Molecular FormulaC12H12Cl2N4S
Molecular Weight315.23 g/mol
Exact Mass314.02
IUPAC Name4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
SMILESCCNc1nc(Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4S/c1-2-15-11-16-10(14)17-12(18-11)19-7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyCQIZWUBDCZYORB-UHFFFAOYSA-N
XLogP3.90
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 103291519
6-chloro-2-N-[(2-chlorophenyl)methyl]-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80786435
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methylpyrimidin-2-amine
CID 103291463
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine
CID 103288765
4-chloro-N-ethyl-6-(2-methylbutylsulfanyl)-1,3,5-triazin-2-amine
CID 107765830
4-chloro-N-ethyl-6-(2-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886104
6-chloro-4-N-ethyl-2-N-[(2-fluorophenyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80776835
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 19377260
6-chloro-2-N,4-N-diethyl-(1,3,5-15N3)1,3,5-triazine-2,4-diamine
CID 91927796
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
CID 5216
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-(3-bromophenyl)sulfanyl-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 80889048

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine (CID 103291573) is 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine is CCNc1nc(Cl)nc(SCc2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine?
The InChIKey is CQIZWUBDCZYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4S/c1-2-15-11-16-10(14)17-12(18-11)19-7-8-5-3-4-6-9(8)13/h3-6H,2,7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine?
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine has a molecular weight of 315.23 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103291573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).