4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine

C5H8N4O2S — CID 89116303

IUPAC4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(S(C)(=O)=O)n1
InChIInChI=1S/C5H8N4O2S/c1-3-7-4(6)9-5(8-3)12(2,10)11/h1-2H3,(H2,6,7,8,9)
InChIKeyGFRJFZKYQKRHPO-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.83
Rot. Bonds1

About 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine

4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine (PubChem CID 89116303) has the molecular formula C5H8N4O2S and a molecular weight of 188.21 g/mol. Its IUPAC name is 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine
PubChem CID89116303
Molecular FormulaC5H8N4O2S
Molecular Weight188.21 g/mol
Exact Mass188.04
IUPAC Name4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine
SMILESCc1nc(N)nc(S(C)(=O)=O)n1
InChIInChI=1S/C5H8N4O2S/c1-3-7-4(6)9-5(8-3)12(2,10)11/h1-2H3,(H2,6,7,8,9)
InChIKeyGFRJFZKYQKRHPO-UHFFFAOYSA-N
XLogP-0.83
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazin-2-amine, 4-methyl-6-(methylthio)-
CID 214051
4-Amino-6-methyl-1,3,5-triazine-2-sulfonamide
CID 123850131
N-(4-amino-6-methyl-1,3,5-triazin-2-yl)methanesulfonamide
CID 53684273
N-(4-chloro-6-methyl-1,3,5-triazin-2-yl)methanesulfonamide
CID 53704473
6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
4-Methyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868021
4-Methylsulfanyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 83085369
4-Methylsulfanyl-6-(1-methylsulfonylethyl)-1,3,5-triazin-2-amine
CID 104518312

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine (CID 89116303) is 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine is Cc1nc(N)nc(S(C)(=O)=O)n1.
What is the InChIKey of 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine?
The InChIKey is GFRJFZKYQKRHPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O2S/c1-3-7-4(6)9-5(8-3)12(2,10)11/h1-2H3,(H2,6,7,8,9).
What are the key properties of 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine?
4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine has a molecular weight of 188.21 g/mol, XLogP of -0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-methylsulfonyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 89116303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).