methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate

C7H10N6O4 — CID 118914027

IUPACmethyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate
SMILESCOC(=O)N(C(=O)OC)c1nc(N)nc(N)n1
InChIInChI=1S/C7H10N6O4/c1-16-6(14)13(7(15)17-2)5-11-3(8)10-4(9)12-5/h1-2H3,(H4,8,9,10,11,12)
InChIKeyXRAPBLZIKRUBKB-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.62
Rot. Bonds1

About methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate

methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate (PubChem CID 118914027) has the molecular formula C7H10N6O4 and a molecular weight of 242.19 g/mol. Its IUPAC name is methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate
PubChem CID118914027
Molecular FormulaC7H10N6O4
Molecular Weight242.19 g/mol
Exact Mass242.08
IUPAC Namemethyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate
SMILESCOC(=O)N(C(=O)OC)c1nc(N)nc(N)n1
InChIInChI=1S/C7H10N6O4/c1-16-6(14)13(7(15)17-2)5-11-3(8)10-4(9)12-5/h1-2H3,(H4,8,9,10,11,12)
InChIKeyXRAPBLZIKRUBKB-UHFFFAOYSA-N
XLogP-0.62
TPSA146.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15906617
(4,6-Dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 18947511
(4,6-Dimethoxy-1,3,5-triazin-2-yl)urea
CID 21719995
Sodium;dimethyl carbonate;methanolate;1,3,5-triazine-2,4,6-triamine
CID 23679923
methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 59582238
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
CID 59582246
methyl N-[4-amino-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]-N-methoxycarbonylcarbamate
CID 68722169
Carboxy-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 68787807
methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
CID 70187333
Isocyanato(methoxy)methane;1,3,5-triazine-2,4,6-triamine
CID 88770040
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate;hydrochloride
CID 139617108

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate?
The IUPAC name of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate (CID 118914027) is methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate.
What is the SMILES notation for methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate?
The canonical SMILES for methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate is COC(=O)N(C(=O)OC)c1nc(N)nc(N)n1.
What is the InChIKey of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate?
The InChIKey is XRAPBLZIKRUBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N6O4/c1-16-6(14)13(7(15)17-2)5-11-3(8)10-4(9)12-5/h1-2H3,(H4,8,9,10,11,12).
What are the key properties of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate?
methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate has a molecular weight of 242.19 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,6-diamino-1,3,5-triazin-2-yl)-N-methoxycarbonylcarbamate is sourced from PubChem (CID 118914027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).