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

C9H14N6O4 — CID 59582238

IUPACmethyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(NC(=O)OC)nc(N(C)C)n1
InChIInChI=1S/C9H14N6O4/c1-15(2)7-11-5(13-8(16)18-3)10-6(12-7)14-9(17)19-4/h1-4H3,(H2,10,11,12,13,14,16,17)
InChIKeyRSKBRURTVUYSRN-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.29
Rot. Bonds3

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

methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (PubChem CID 59582238) has the molecular formula C9H14N6O4 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
PubChem CID59582238
Molecular FormulaC9H14N6O4
Molecular Weight270.25 g/mol
Exact Mass270.11
IUPAC Namemethyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
SMILESCOC(=O)Nc1nc(NC(=O)OC)nc(N(C)C)n1
InChIInChI=1S/C9H14N6O4/c1-15(2)7-11-5(13-8(16)18-3)10-6(12-7)14-9(17)19-4/h1-4H3,(H2,10,11,12,13,14,16,17)
InChIKeyRSKBRURTVUYSRN-UHFFFAOYSA-N
XLogP0.29
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Pentakis(methoxymethyl)melamine
CID 18785363
Hmmm TP243
CID 156601176
Hmmm TP353
CID 156601177
Hmmm TP287
CID 156601179
Hmmm TP315
CID 156601180
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
methyl N-[4,6-bis(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate
CID 15906617
N~2~,N~2~,N~4~,N~6~-Tetrakis(methoxymethyl)-1,3,5-triazine-2,4,6-triamine
CID 18785360
(4,6-Dimethoxy-1,3,5-triazin-2-yl)carbamic acid
CID 18947511
methyl N-(1,3,5-triazin-2-yl)carbamate
CID 19704296
[4,6-Bis(dimethylamino)-1,3,5-triazin-2-yl]urea
CID 54219225

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The IUPAC name of methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate (CID 59582238) is methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate.
What is the SMILES notation for methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The canonical SMILES for methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is COC(=O)Nc1nc(NC(=O)OC)nc(N(C)C)n1.
What is the InChIKey of methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
The InChIKey is RSKBRURTVUYSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O4/c1-15(2)7-11-5(13-8(16)18-3)10-6(12-7)14-9(17)19-4/h1-4H3,(H2,10,11,12,13,14,16,17).
What are the key properties of methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate?
methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate has a molecular weight of 270.25 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(dimethylamino)-6-(methoxycarbonylamino)-1,3,5-triazin-2-yl]carbamate is sourced from PubChem (CID 59582238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).