methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate

C10H14N6O6 — CID 59582246

IUPACmethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCOC(=O)Nc1nc(NC(=O)OC)nc(N(C)C(=O)OC)n1
InChIInChI=1S/C10H14N6O6/c1-16(10(19)22-4)7-12-5(14-8(17)20-2)11-6(13-7)15-9(18)21-3/h1-4H3,(H2,11,12,13,14,15,17,18)
InChIKeyYIGHLZQORKBELE-UHFFFAOYSA-N
MW314.26 g/mol
LogP0.43
Rot. Bonds3

About methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate

methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate (PubChem CID 59582246) has the molecular formula C10H14N6O6 and a molecular weight of 314.26 g/mol. Its IUPAC name is methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
PubChem CID59582246
Molecular FormulaC10H14N6O6
Molecular Weight314.26 g/mol
Exact Mass314.10
IUPAC Namemethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCOC(=O)Nc1nc(NC(=O)OC)nc(N(C)C(=O)OC)n1
InChIInChI=1S/C10H14N6O6/c1-16(10(19)22-4)7-12-5(14-8(17)20-2)11-6(13-7)15-9(18)21-3/h1-4H3,(H2,11,12,13,14,15,17,18)
InChIKeyYIGHLZQORKBELE-UHFFFAOYSA-N
XLogP0.43
TPSA144.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The IUPAC name of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate (CID 59582246) is methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate is COC(=O)Nc1nc(NC(=O)OC)nc(N(C)C(=O)OC)n1.
What is the InChIKey of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The InChIKey is YIGHLZQORKBELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O6/c1-16(10(19)22-4)7-12-5(14-8(17)20-2)11-6(13-7)15-9(18)21-3/h1-4H3,(H2,11,12,13,14,15,17,18).
What are the key properties of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate has a molecular weight of 314.26 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate is sourced from PubChem (CID 59582246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).