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

C7H12N4O2S — CID 63868988

IUPAC4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C7H12N4O2S/c1-3-5-9-6(4-14(2,12)13)11-7(8)10-5/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyVMEMJBXXQLDAPV-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.44
Rot. Bonds3

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

4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 63868988) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID63868988
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C7H12N4O2S/c1-3-5-9-6(4-14(2,12)13)11-7(8)10-5/h3-4H2,1-2H3,(H2,8,9,10,11)
InChIKeyVMEMJBXXQLDAPV-UHFFFAOYSA-N
XLogP-0.44
TPSA98.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Amino-6-fluoro-1,3,5-triazin-2-yl)ethanesulfonic acid
CID 140358863
N-[4-ethyl-6-(methanesulfonamido)-1,3,5-triazin-2-yl]methanesulfonamide
CID 18343760
4-Methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 70489877
6-(2-Methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 112681469
6-(1-Methylsulfanylethyl)-1,3,5-triazine-2,4-diamine
CID 163777256
[4-Amino-6-(sulfomethyl)-1,3,5-triazin-2-yl]methanesulfonic acid
CID 172795411
6-(Methylsulfinylmethyl)-1,3,5-triazine-2,4-diamine
CID 21815920
6-[(Methylsulfonyl)methyl]-1,3,5-triazine-2,4-diamine
CID 21815927
4-(Methylsulfonylmethyl)-1,3,5-triazin-2-amine
CID 63866964
4-(Methylsulfonylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63866977
4-(Methylsulfanylmethyl)-6-propyl-1,3,5-triazin-2-amine
CID 63867295
4-(Methylsulfonylmethyl)-6-propan-2-yl-1,3,5-triazin-2-amine
CID 63867607

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 63868988) is 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is CCc1nc(N)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is VMEMJBXXQLDAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-3-5-9-6(4-14(2,12)13)11-7(8)10-5/h3-4H2,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 216.27 g/mol, XLogP of -0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).