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

C9H12N6O6 — CID 15906617

IUPACmethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(NC(=O)OC)nc(NC(=O)OC)n1
InChIInChI=1S/C9H12N6O6/c1-19-7(16)13-4-10-5(14-8(17)20-2)12-6(11-4)15-9(18)21-3/h1-3H3,(H3,10,11,12,13,14,15,16,17,18)
InChIKeySTTVFNPTDZDBPV-UHFFFAOYSA-N
MW300.23 g/mol
LogP0.41
Rot. Bonds3

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

methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (PubChem CID 15906617) has the molecular formula C9H12N6O6 and a molecular weight of 300.23 g/mol. Its IUPAC name is methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
PubChem CID15906617
Molecular FormulaC9H12N6O6
Molecular Weight300.23 g/mol
Exact Mass300.08
IUPAC Namemethyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(NC(=O)OC)nc(NC(=O)OC)n1
InChIInChI=1S/C9H12N6O6/c1-19-7(16)13-4-10-5(14-8(17)20-2)12-6(11-4)15-9(18)21-3/h1-3H3,(H3,10,11,12,13,14,15,16,17,18)
InChIKeySTTVFNPTDZDBPV-UHFFFAOYSA-N
XLogP0.41
TPSA153.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (CID 15906617) is methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is COC(=O)Nc1nc(NC(=O)OC)nc(NC(=O)OC)n1.
What is the InChIKey of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is STTVFNPTDZDBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O6/c1-19-7(16)13-4-10-5(14-8(17)20-2)12-6(11-4)15-9(18)21-3/h1-3H3,(H3,10,11,12,13,14,15,16,17,18).
What are the key properties of methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 300.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 3 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]carbamate is sourced from PubChem (CID 15906617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).