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

C6H10N4O3S — CID 70489877

IUPAC4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C6H10N4O3S/c1-13-6-9-4(3-14(2,11)12)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeySEJLCSDHFYDGGZ-UHFFFAOYSA-N
MW218.24 g/mol
LogP-0.99
Rot. Bonds3

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

4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (PubChem CID 70489877) has the molecular formula C6H10N4O3S and a molecular weight of 218.24 g/mol. Its IUPAC name is 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
PubChem CID70489877
Molecular FormulaC6H10N4O3S
Molecular Weight218.24 g/mol
Exact Mass218.05
IUPAC Name4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(CS(C)(=O)=O)n1
InChIInChI=1S/C6H10N4O3S/c1-13-6-9-4(3-14(2,11)12)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10)
InChIKeySEJLCSDHFYDGGZ-UHFFFAOYSA-N
XLogP-0.99
TPSA108.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 57329315
CID 57329315
CID 177923295
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CID 20070844
CID 20070844
CID 21815920
CID 21815920
CID 21815927
CID 21815927
CID 63866964
CID 63866964
CID 63866977
CID 63866977
CID 63867607
CID 63867607

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine (CID 70489877) is 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is COc1nc(N)nc(CS(C)(=O)=O)n1.
What is the InChIKey of 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is SEJLCSDHFYDGGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O3S/c1-13-6-9-4(3-14(2,11)12)8-5(7)10-6/h3H2,1-2H3,(H2,7,8,9,10).
What are the key properties of 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine?
4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 218.24 g/mol, XLogP of -0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(methylsulfonylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 70489877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).