2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid

C7H10N4O3S — CID 70472267

IUPAC2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid
SMILESCOc1nc(NCC(=O)O)nc(SC)n1
InChIInChI=1S/C7H10N4O3S/c1-14-6-9-5(8-3-4(12)13)10-7(11-6)15-2/h3H2,1-2H3,(H,12,13)(H,8,9,10,11)
InChIKeyUBSNWWYAGGBMMM-UHFFFAOYSA-N
MW230.25 g/mol
LogP0.10
Rot. Bonds5

About 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid

2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid (PubChem CID 70472267) has the molecular formula C7H10N4O3S and a molecular weight of 230.25 g/mol. Its IUPAC name is 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid
PubChem CID70472267
Molecular FormulaC7H10N4O3S
Molecular Weight230.25 g/mol
Exact Mass230.05
IUPAC Name2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid
SMILESCOc1nc(NCC(=O)O)nc(SC)n1
InChIInChI=1S/C7H10N4O3S/c1-14-6-9-5(8-3-4(12)13)10-7(11-6)15-2/h3H2,1-2H3,(H,12,13)(H,8,9,10,11)
InChIKeyUBSNWWYAGGBMMM-UHFFFAOYSA-N
XLogP0.10
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid?
The IUPAC name of 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid (CID 70472267) is 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid.
What is the SMILES notation for 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid?
The canonical SMILES for 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid is COc1nc(NCC(=O)O)nc(SC)n1.
What is the InChIKey of 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid?
The InChIKey is UBSNWWYAGGBMMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3S/c1-14-6-9-5(8-3-4(12)13)10-7(11-6)15-2/h3H2,1-2H3,(H,12,13)(H,8,9,10,11).
What are the key properties of 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid?
2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid has a molecular weight of 230.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxy-6-methylsulfanyl-1,3,5-triazin-2-yl)amino]acetic acid is sourced from PubChem (CID 70472267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).