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

C12H12Cl2N4S — CID 103288765

IUPAC4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4S/c1-18(2)11-15-10(14)16-12(17-11)19-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeyCLFWNGPVIMWWTA-UHFFFAOYSA-N
MW315.23 g/mol
LogP3.54
Rot. Bonds4

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

4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 103288765) 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,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID103288765
Molecular FormulaC12H12Cl2N4S
Molecular Weight315.23 g/mol
Exact Mass314.02
IUPAC Name4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(SCc2ccccc2Cl)n1
InChIInChI=1S/C12H12Cl2N4S/c1-18(2)11-15-10(14)16-12(17-11)19-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3
InChIKeyCLFWNGPVIMWWTA-UHFFFAOYSA-N
XLogP3.54
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-1,3,5-triazin-2-amine
CID 103291573
2-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 1488847
2-[(2-chlorophenyl)methylsulfanyl]-N,N,5-trimethylpyrimidin-4-amine;hydrochloride
CID 21122574
4-(2-chlorophenoxy)-2-[(2-chlorophenyl)methylsulfanyl]-6-methylpyrimidine
CID 46034013
4-[(2-chlorophenyl)methylsulfanyl]-N-ethyl-6-methoxy-1,3,5-triazin-2-amine
CID 103291519
3-[(2-chlorophenyl)methylsulfanyl]-5-(4-methylphenyl)-1H-1,2,4-triazole
CID 5030402
4-chloro-6-(2-chlorophenyl)sulfanyl-N,N-diethyl-1,3,5-triazin-2-amine
CID 63402083
4-(4-tert-butylphenyl)sulfanyl-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63402476
1-chloro-2-(methylsulfanylmethyl)benzene;ethane
CID 162765163
6-(furan-2-ylmethylsulfanyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80893164
N-[[4,6-bis(dimethylamino)-1,3,5-triazin-2-yl]methyl]-2-(2-chlorophenyl)acetamide
CID 121137847
4-chloro-6-[(2-chlorophenyl)methoxy]-N,N-diethyl-1,3,5-triazin-2-amine
CID 62870466

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine (CID 103288765) is 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(SCc2ccccc2Cl)n1.
What is the InChIKey of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is CLFWNGPVIMWWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4S/c1-18(2)11-15-10(14)16-12(17-11)19-7-8-5-3-4-6-9(8)13/h3-6H,7H2,1-2H3.
What are the key properties of 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 315.23 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[(2-chlorophenyl)methylsulfanyl]-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 103288765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).