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

C7H10N4O3 — CID 14404501

IUPACmethyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(C)nc(OC)n1
InChIInChI=1S/C7H10N4O3/c1-4-8-5(11-7(12)14-3)10-6(9-4)13-2/h1-3H3,(H,8,9,10,11,12)
InChIKeyXQMZVQDXIBHYIG-UHFFFAOYSA-N
MW198.18 g/mol
LogP0.37
Rot. Bonds2

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

methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate (PubChem CID 14404501) has the molecular formula C7H10N4O3 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate
PubChem CID14404501
Molecular FormulaC7H10N4O3
Molecular Weight198.18 g/mol
Exact Mass198.08
IUPAC Namemethyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate
SMILESCOC(=O)Nc1nc(C)nc(OC)n1
InChIInChI=1S/C7H10N4O3/c1-4-8-5(11-7(12)14-3)10-6(9-4)13-2/h1-3H3,(H,8,9,10,11,12)
InChIKeyXQMZVQDXIBHYIG-UHFFFAOYSA-N
XLogP0.37
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate?
The IUPAC name of methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate (CID 14404501) is methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate is COC(=O)Nc1nc(C)nc(OC)n1.
What is the InChIKey of methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate?
The InChIKey is XQMZVQDXIBHYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O3/c1-4-8-5(11-7(12)14-3)10-6(9-4)13-2/h1-3H3,(H,8,9,10,11,12).
What are the key properties of methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate?
methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate has a molecular weight of 198.18 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamate is sourced from PubChem (CID 14404501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).