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

C10H9ClN4OS — CID 121216106

IUPAC4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C10H9ClN4OS/c1-17-10-14-8(12)13-9(15-10)16-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyJEPIPQPGYDFTPD-UHFFFAOYSA-N
MW268.73 g/mol
LogP2.62
Rot. Bonds3

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

4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 121216106) has the molecular formula C10H9ClN4OS and a molecular weight of 268.73 g/mol. Its IUPAC name is 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID121216106
Molecular FormulaC10H9ClN4OS
Molecular Weight268.73 g/mol
Exact Mass268.02
IUPAC Name4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(Oc2cccc(Cl)c2)n1
InChIInChI=1S/C10H9ClN4OS/c1-17-10-14-8(12)13-9(15-10)16-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,13,14,15)
InChIKeyJEPIPQPGYDFTPD-UHFFFAOYSA-N
XLogP2.62
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 121216106) is 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(Oc2cccc(Cl)c2)n1.
What is the InChIKey of 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is JEPIPQPGYDFTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4OS/c1-17-10-14-8(12)13-9(15-10)16-7-4-2-3-6(11)5-7/h2-5H,1H3,(H2,12,13,14,15).
What are the key properties of 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 268.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenoxy)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 121216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).