4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C10H9ClN4S — CID 12571204

IUPAC4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H9ClN4S/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyJVOIPLKVZOLUDL-UHFFFAOYSA-N
MW252.73 g/mol
LogP2.50
Rot. Bonds2

About 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 12571204) has the molecular formula C10H9ClN4S and a molecular weight of 252.73 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID12571204
Molecular FormulaC10H9ClN4S
Molecular Weight252.73 g/mol
Exact Mass252.02
IUPAC Name4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccccc2Cl)n1
InChIInChI=1S/C10H9ClN4S/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyJVOIPLKVZOLUDL-UHFFFAOYSA-N
XLogP2.50
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Irsogladine
CID 3752
6-(2-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 97399
4-(Ethylthio)-6-phenyl-1,3,5-triazin-2-amine
CID 44420099
4,6-Bis(4-chlorophenyl)-1,3,5-triazin-2-amine
CID 35246
6-(4-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 20612
6-(2,4-Dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852433
4-(Methylsulfanyl)-6-phenyl-1,3,5-triazin-2-amine
CID 12318923
4-(2-Methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
CID 56681935
6-(3-Chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 308819
5-(2-Chlorophenyl)-3-(methylsulfanyl)-1H-1,2,4-triazole
CID 12571200
6-[2-Chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 23275234
3-(2-chlorophenyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine
CID 734984

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 12571204) is 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccccc2Cl)n1.
What is the InChIKey of 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is JVOIPLKVZOLUDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S/c1-16-10-14-8(13-9(12)15-10)6-4-2-3-5-7(6)11/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 252.73 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 12571204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).