methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate

C11H18N6O4 — CID 68768625

IUPACmethyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1nc(N(C)C)nc(N(C)C(=O)OC)n1
InChIInChI=1S/C11H18N6O4/c1-15(2)7-12-8(16(3)10(18)20-5)14-9(13-7)17(4)11(19)21-6/h1-6H3
InChIKeyBZWUAFQHCGSDIV-UHFFFAOYSA-N
MW298.30 g/mol
LogP0.34
Rot. Bonds3

About methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate

methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate (PubChem CID 68768625) has the molecular formula C11H18N6O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate
PubChem CID68768625
Molecular FormulaC11H18N6O4
Molecular Weight298.30 g/mol
Exact Mass298.14
IUPAC Namemethyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCOC(=O)N(C)c1nc(N(C)C)nc(N(C)C(=O)OC)n1
InChIInChI=1S/C11H18N6O4/c1-15(2)7-12-8(16(3)10(18)20-5)14-9(13-7)17(4)11(19)21-6/h1-6H3
InChIKeyBZWUAFQHCGSDIV-UHFFFAOYSA-N
XLogP0.34
TPSA100.99 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate 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

Hexakis(methoxymethyl)melamine
CID 62479
Hmmm TP383
CID 156601175
Hmmm TP375
CID 156601178
Hmmm TP287
CID 156601179
Tris(methoxymethyl)trimethylmelamine
CID 58031155
Pentamethyl-N-formylmelamine
CID 358715
1-(4-Dimethylamino-6-methoxy-s-triazinyl)-4-dimethylamino-6-methoxy-s-triazine-2(1H)-one
CID 629464
2-N,4-N-bis(methoxymethyl)-2-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 12591643
2-N,2-N-bis(methoxymethyl)-4-N,4-N,6-N,6-N-tetramethyl-1,3,5-triazine-2,4,6-triamine
CID 18344491
N-[4-[bis(hydroxymethyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl]-N-(hydroxymethyl)formamide
CID 22762270
2-N,2-N,4-N,4-N-tetrakis(methoxymethyl)-6-N,6-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 22944845
(4,6-Dimethoxy-1,3,5-triazin-2-yl)-methylcarbamic acid
CID 23188737

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate (CID 68768625) is methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate is COC(=O)N(C)c1nc(N(C)C)nc(N(C)C(=O)OC)n1.
What is the InChIKey of methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate?
The InChIKey is BZWUAFQHCGSDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O4/c1-15(2)7-12-8(16(3)10(18)20-5)14-9(13-7)17(4)11(19)21-6/h1-6H3.
What are the key properties of methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate?
methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate has a molecular weight of 298.30 g/mol, XLogP of 0.34, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-(dimethylamino)-6-[methoxycarbonyl(methyl)amino]-1,3,5-triazin-2-yl]-N-methylcarbamate is sourced from PubChem (CID 68768625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).