4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine

C8H14N4O2S — CID 63867607

IUPAC4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-5(2)7-10-6(4-15(3,13)14)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyVEVJEMZKBCUHBB-UHFFFAOYSA-N
MW230.29 g/mol
LogP0.12
Rot. Bonds3

About 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine

4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 63867607) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID63867607
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
SMILESCC(C)c1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-5(2)7-10-6(4-15(3,13)14)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12)
InChIKeyVEVJEMZKBCUHBB-UHFFFAOYSA-N
XLogP0.12
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine (CID 63867607) is 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is CC(C)c1nc(N)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is VEVJEMZKBCUHBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-5(2)7-10-6(4-15(3,13)14)11-8(9)12-7/h5H,4H2,1-3H3,(H2,9,10,11,12).
What are the key properties of 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine?
4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 230.29 g/mol, XLogP of 0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).