6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine

C13H17N5O2S — CID 22965374

IUPAC6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC(C)c2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C13H17N5O2S/c1-8(15-13-17-9(2)16-12(14)18-13)10-6-4-5-7-11(10)21(3,19)20/h4-8H,1-3H3,(H3,14,15,16,17,18)
InChIKeyQTWXKXKHINSUCC-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.34
Rot. Bonds4

About 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine

6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 22965374) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID22965374
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
SMILESCc1nc(N)nc(NC(C)c2ccccc2S(C)(=O)=O)n1
InChIInChI=1S/C13H17N5O2S/c1-8(15-13-17-9(2)16-12(14)18-13)10-6-4-5-7-11(10)21(3,19)20/h4-8H,1-3H3,(H3,14,15,16,17,18)
InChIKeyQTWXKXKHINSUCC-UHFFFAOYSA-N
XLogP1.34
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine (CID 22965374) is 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine is Cc1nc(N)nc(NC(C)c2ccccc2S(C)(=O)=O)n1.
What is the InChIKey of 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QTWXKXKHINSUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-8(15-13-17-9(2)16-12(14)18-13)10-6-4-5-7-11(10)21(3,19)20/h4-8H,1-3H3,(H3,14,15,16,17,18).
What are the key properties of 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine?
6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 307.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-[1-(2-methylsulfonylphenyl)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22965374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).