2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine

C12H15N5S — CID 80884427

IUPAC2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Sc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C12H15N5S/c1-8-4-6-9(7-5-8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeyRJKHFSASYISBIQ-UHFFFAOYSA-N
MW261.35 g/mol
LogP1.98
Rot. Bonds3

About 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80884427) has the molecular formula C12H15N5S and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80884427
Molecular FormulaC12H15N5S
Molecular Weight261.35 g/mol
Exact Mass261.10
IUPAC Name2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCc1ccc(Sc2nc(N)nc(N(C)C)n2)cc1
InChIInChI=1S/C12H15N5S/c1-8-4-6-9(7-5-8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3,(H2,13,14,15,16)
InChIKeyRJKHFSASYISBIQ-UHFFFAOYSA-N
XLogP1.98
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 80884427) is 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine is Cc1ccc(Sc2nc(N)nc(N(C)C)n2)cc1.
What is the InChIKey of 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RJKHFSASYISBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5S/c1-8-4-6-9(7-5-8)18-12-15-10(13)14-11(16-12)17(2)3/h4-7H,1-3H3,(H2,13,14,15,16).
What are the key properties of 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.35 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80884427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).