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

C6H7N4O4- — CID 18947510

IUPACN-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
SMILESCOc1nc(NC(=O)[O-])nc(OC)n1
InChIInChI=1S/C6H8N4O4/c1-13-4-7-3(9-6(11)12)8-5(10-4)14-2/h1-2H3,(H,11,12)(H,7,8,9,10)/p-1
InChIKeyDIHAVNCJGRISFT-UHFFFAOYSA-M
MW199.15 g/mol
LogP-1.36
Rot. Bonds3

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

N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate (PubChem CID 18947510) has the molecular formula C6H7N4O4- and a molecular weight of 199.15 g/mol. Its IUPAC name is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate.

Molecular Properties

Compound NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
PubChem CID18947510
Molecular FormulaC6H7N4O4-
Molecular Weight199.15 g/mol
Exact Mass199.05
IUPAC NameN-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate
SMILESCOc1nc(NC(=O)[O-])nc(OC)n1
InChIInChI=1S/C6H8N4O4/c1-13-4-7-3(9-6(11)12)8-5(10-4)14-2/h1-2H3,(H,11,12)(H,7,8,9,10)/p-1
InChIKeyDIHAVNCJGRISFT-UHFFFAOYSA-M
XLogP-1.36
TPSA109.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 5-1.36
H-Bond Donors ≤ 51
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)carbamate?
The IUPAC name of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate (CID 18947510) is N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate.
What is the SMILES notation for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The canonical SMILES for N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate is COc1nc(NC(=O)[O-])nc(OC)n1.
What is the InChIKey of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
The InChIKey is DIHAVNCJGRISFT-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H8N4O4/c1-13-4-7-3(9-6(11)12)8-5(10-4)14-2/h1-2H3,(H,11,12)(H,7,8,9,10)/p-1.
What are the key properties of N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate?
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamate has a molecular weight of 199.15 g/mol, XLogP of -1.36, 3 rotatable bonds, 1 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)carbamate is sourced from PubChem (CID 18947510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).