1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea

C6H10N6O4S — CID 13188538

IUPAC1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea
SMILESCOc1nc(C)nc(NC(=O)NS(N)(=O)=O)n1
InChIInChI=1S/C6H10N6O4S/c1-3-8-4(11-6(9-3)16-2)10-5(13)12-17(7,14)15/h1-2H3,(H2,7,14,15)(H2,8,9,10,11,12,13)
InChIKeyUBGCERUZIIBYEM-UHFFFAOYSA-N
MW262.25 g/mol
LogP-1.49
Rot. Bonds3

About 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea

1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea (PubChem CID 13188538) has the molecular formula C6H10N6O4S and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea.

Molecular Properties

Compound Name1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea
PubChem CID13188538
Molecular FormulaC6H10N6O4S
Molecular Weight262.25 g/mol
Exact Mass262.05
IUPAC Name1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea
SMILESCOc1nc(C)nc(NC(=O)NS(N)(=O)=O)n1
InChIInChI=1S/C6H10N6O4S/c1-3-8-4(11-6(9-3)16-2)10-5(13)12-17(7,14)15/h1-2H3,(H2,7,14,15)(H2,8,9,10,11,12,13)
InChIKeyUBGCERUZIIBYEM-UHFFFAOYSA-N
XLogP-1.49
TPSA149.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 5-1.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)acetamide
CID 14076289
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-[2-(methylamino)-4-oxopent-2-en-3-yl]sulfonylurea
CID 70490365
1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 13469890
lithium;hydride;methyl 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 173024581
CID 88679981
CID 88679981
1-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]pyrrole-3-carboxylic acid
CID 23185534
methyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-3-methylbenzoate
CID 142673735
methyl (2Z,4Z,6E)-7-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]-5-methylhepta-2,4,6-trienoate
CID 142801401
ethyl 4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoate
CID 21473150
1-(4-ethoxy-6-ethylpyrimidin-5-yl)sulfonothioyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 67918390
4-iodo-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid
CID 18402899
1-(2-chloro-5-propan-2-ylphenyl)sulfonyl-3-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)urea
CID 139201725

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea?
The IUPAC name of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea (CID 13188538) is 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea.
What is the SMILES notation for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea?
The canonical SMILES for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea is COc1nc(C)nc(NC(=O)NS(N)(=O)=O)n1.
What is the InChIKey of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea?
The InChIKey is UBGCERUZIIBYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N6O4S/c1-3-8-4(11-6(9-3)16-2)10-5(13)12-17(7,14)15/h1-2H3,(H2,7,14,15)(H2,8,9,10,11,12,13).
What are the key properties of 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea?
1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea has a molecular weight of 262.25 g/mol, XLogP of -1.49, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)-3-sulfamoylurea is sourced from PubChem (CID 13188538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).