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

C14H13N5S — CID 83084220

IUPAC4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc(C)nc3ccccc23)n1
InChIInChI=1S/C14H13N5S/c1-8-7-10(9-5-3-4-6-11(9)16-8)12-17-13(15)19-14(18-12)20-2/h3-7H,1-2H3,(H2,15,17,18,19)
InChIKeyCSLSSWZSCRLKCF-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.70
Rot. Bonds2

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

4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83084220) has the molecular formula C14H13N5S and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83084220
Molecular FormulaC14H13N5S
Molecular Weight283.36 g/mol
Exact Mass283.09
IUPAC Name4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2cc(C)nc3ccccc23)n1
InChIInChI=1S/C14H13N5S/c1-8-7-10(9-5-3-4-6-11(9)16-8)12-17-13(15)19-14(18-12)20-2/h3-7H,1-2H3,(H2,15,17,18,19)
InChIKeyCSLSSWZSCRLKCF-UHFFFAOYSA-N
XLogP2.70
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83084220) is 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2cc(C)nc3ccccc23)n1.
What is the InChIKey of 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is CSLSSWZSCRLKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5S/c1-8-7-10(9-5-3-4-6-11(9)16-8)12-17-13(15)19-14(18-12)20-2/h3-7H,1-2H3,(H2,15,17,18,19).
What are the key properties of 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 283.36 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylquinolin-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83084220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).