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

C8H12N4O2S — CID 63868194

IUPAC4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C8H12N4O2S/c1-15(13,14)4-6-10-7(5-2-3-5)12-8(9)11-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyFEUAPWFBOIEAGA-UHFFFAOYSA-N
MW228.28 g/mol
LogP-0.12
Rot. Bonds3

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

4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63868194) has the molecular formula C8H12N4O2S and a molecular weight of 228.28 g/mol. Its IUPAC name is 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID63868194
Molecular FormulaC8H12N4O2S
Molecular Weight228.28 g/mol
Exact Mass228.07
IUPAC Name4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCS(=O)(=O)Cc1nc(N)nc(C2CC2)n1
InChIInChI=1S/C8H12N4O2S/c1-15(13,14)4-6-10-7(5-2-3-5)12-8(9)11-6/h5H,2-4H2,1H3,(H2,9,10,11,12)
InChIKeyFEUAPWFBOIEAGA-UHFFFAOYSA-N
XLogP-0.12
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
4-(Methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63866977
4-Cyclopentyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63867314
4-(Methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867607
4-(Methylsulfanylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867899
4-Methyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868021
4-Cyclopropyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63868613
4-Tert-butyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868882
4-Ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868988
4-Cyclopropyl-6-(ethylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65129788
4-Cyclopropyl-6-(propan-2-ylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65133500
4-Cyclopropyl-6-(propylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 65134187

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 63868194) is 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is CS(=O)(=O)Cc1nc(N)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is FEUAPWFBOIEAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2S/c1-15(13,14)4-6-10-7(5-2-3-5)12-8(9)11-6/h5H,2-4H2,1H3,(H2,9,10,11,12).
What are the key properties of 4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 228.28 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-cyclopropyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).