N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate

C7H9N4O4- — CID 23188736

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate
SMILESCOc1nc(OC)nc(N(C)C(=O)[O-])n1
InChIInChI=1S/C7H10N4O4/c1-11(7(12)13)4-8-5(14-2)10-6(9-4)15-3/h1-3H3,(H,12,13)/p-1
InChIKeyQWMGPWANXGUJFA-UHFFFAOYSA-M
MW213.17 g/mol
LogP-1.33
Rot. Bonds3

About N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate (PubChem CID 23188736) has the molecular formula C7H9N4O4- and a molecular weight of 213.17 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate
PubChem CID23188736
Molecular FormulaC7H9N4O4-
Molecular Weight213.17 g/mol
Exact Mass213.06
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate
SMILESCOc1nc(OC)nc(N(C)C(=O)[O-])n1
InChIInChI=1S/C7H10N4O4/c1-11(7(12)13)4-8-5(14-2)10-6(9-4)15-3/h1-3H3,(H,12,13)/p-1
InChIKeyQWMGPWANXGUJFA-UHFFFAOYSA-M
XLogP-1.33
TPSA100.50 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.17
LogP ≤ 5-1.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate (CID 23188736) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate is COc1nc(OC)nc(N(C)C(=O)[O-])n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate?
The InChIKey is QWMGPWANXGUJFA-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H10N4O4/c1-11(7(12)13)4-8-5(14-2)10-6(9-4)15-3/h1-3H3,(H,12,13)/p-1.
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate has a molecular weight of 213.17 g/mol, XLogP of -1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N-methylcarbamate is sourced from PubChem (CID 23188736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).