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

C5H8N6O2 — CID 70187333

IUPACmethyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H8N6O2/c1-13-5(12)11-4-9-2(6)8-3(7)10-4/h1H3,(H5,6,7,8,9,10,11,12)
InChIKeyVNEUOBJQSPFDCW-UHFFFAOYSA-N
MW184.16 g/mol
LogP-0.79
Rot. Bonds1

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

methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate (PubChem CID 70187333) has the molecular formula C5H8N6O2 and a molecular weight of 184.16 g/mol. Its IUPAC name is methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
PubChem CID70187333
Molecular FormulaC5H8N6O2
Molecular Weight184.16 g/mol
Exact Mass184.07
IUPAC Namemethyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(N)nc(N)n1
InChIInChI=1S/C5H8N6O2/c1-13-5(12)11-4-9-2(6)8-3(7)10-4/h1H3,(H5,6,7,8,9,10,11,12)
InChIKeyVNEUOBJQSPFDCW-UHFFFAOYSA-N
XLogP-0.79
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 5-0.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

Trimethoxymethylmelamine
CID 21189409
methyl N-(4,6-dichloro-1,3,5-triazin-2-yl)carbamate
CID 12803245
Methyl (4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803256
ethyl N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
CID 12803257
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)formamide
CID 12924257
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
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
Methoxymethane;1,3,5-triazine-2,4,6-triamine;urea
CID 21388572
(4,6-Diamino-1,3,5-triazin-2-yl)carbamic acid
CID 21493768
(4,6-Dimethoxy-1,3,5-triazin-2-yl)urea
CID 21719995
Ethyl carbamate;1,3,5-triazine-2,4,6-triamine
CID 21960684

Frequently Asked Questions

What is the IUPAC name of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate (CID 70187333) is methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate is COC(=O)Nc1nc(N)nc(N)n1.
What is the InChIKey of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
The InChIKey is VNEUOBJQSPFDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6O2/c1-13-5(12)11-4-9-2(6)8-3(7)10-4/h1H3,(H5,6,7,8,9,10,11,12).
What are the key properties of methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate?
methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate has a molecular weight of 184.16 g/mol, XLogP of -0.79, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4,6-diamino-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 70187333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).