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

C10H16N6O4 — CID 59582244

IUPACmethyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCNc1nc(N(C)C(=O)OC)nc(N(C)C(=O)OC)n1
InChIInChI=1S/C10H16N6O4/c1-11-6-12-7(15(2)9(17)19-4)14-8(13-6)16(3)10(18)20-5/h1-5H3,(H,11,12,13,14)
InChIKeyDLHQOEXEDYQLOO-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.32
Rot. Bonds3

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

methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate (PubChem CID 59582244) has the molecular formula C10H16N6O4 and a molecular weight of 284.28 g/mol. Its IUPAC name is methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
PubChem CID59582244
Molecular FormulaC10H16N6O4
Molecular Weight284.28 g/mol
Exact Mass284.12
IUPAC Namemethyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate
SMILESCNc1nc(N(C)C(=O)OC)nc(N(C)C(=O)OC)n1
InChIInChI=1S/C10H16N6O4/c1-11-6-12-7(15(2)9(17)19-4)14-8(13-6)16(3)10(18)20-5/h1-5H3,(H,11,12,13,14)
InChIKeyDLHQOEXEDYQLOO-UHFFFAOYSA-N
XLogP0.32
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The IUPAC name of methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate (CID 59582244) is methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The canonical SMILES for methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate is CNc1nc(N(C)C(=O)OC)nc(N(C)C(=O)OC)n1.
What is the InChIKey of methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
The InChIKey is DLHQOEXEDYQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O4/c1-11-6-12-7(15(2)9(17)19-4)14-8(13-6)16(3)10(18)20-5/h1-5H3,(H,11,12,13,14).
What are the key properties of methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate?
methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate has a molecular weight of 284.28 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[methoxycarbonyl(methyl)amino]-6-(methylamino)-1,3,5-triazin-2-yl]-N-methylcarbamate is sourced from PubChem (CID 59582244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).