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

C11H11ClN4S — CID 83083645

IUPAC4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4S/c1-17-11-15-9(14-10(13)16-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyJMFQTFCPHKJUBZ-UHFFFAOYSA-N
MW266.76 g/mol
LogP2.42
Rot. Bonds3

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

4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 83083645) has the molecular formula C11H11ClN4S and a molecular weight of 266.76 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID83083645
Molecular FormulaC11H11ClN4S
Molecular Weight266.76 g/mol
Exact Mass266.04
IUPAC Name4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(Cc2ccc(Cl)cc2)n1
InChIInChI=1S/C11H11ClN4S/c1-17-11-15-9(14-10(13)16-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,16)
InChIKeyJMFQTFCPHKJUBZ-UHFFFAOYSA-N
XLogP2.42
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.76
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 83083645) is 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(Cc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is JMFQTFCPHKJUBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4S/c1-17-11-15-9(14-10(13)16-11)6-7-2-4-8(12)5-3-7/h2-5H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 266.76 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl]-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 83083645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).