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

C8H14N4O2S — CID 63866977

IUPAC4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-3-4-6-10-7(5-15(2,13)14)12-8(9)11-6/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyAZBCBLWBWAOGLP-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.05
Rot. Bonds4

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

4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine (PubChem CID 63866977) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
PubChem CID63866977
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
SMILESCCCc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C8H14N4O2S/c1-3-4-6-10-7(5-15(2,13)14)12-8(9)11-6/h3-5H2,1-2H3,(H2,9,10,11,12)
InChIKeyAZBCBLWBWAOGLP-UHFFFAOYSA-N
XLogP-0.05
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 70489877
6-(Methylsulfinylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815920
6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
4-(Methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867295
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-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63868194
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-Ethyl-6-(methylsulfanylmethyl)-1,3,5-triazin-2-amine
CID 63869129

Frequently Asked Questions

What is the IUPAC name of 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine (CID 63866977) is 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine is CCCc1nc(N)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine?
The InChIKey is AZBCBLWBWAOGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-3-4-6-10-7(5-15(2,13)14)12-8(9)11-6/h3-5H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine?
4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine has a molecular weight of 230.29 g/mol, XLogP of -0.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63866977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).