4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine

C11H11N5O5 — CID 103202380

IUPAC4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(OC)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H11N5O5/c1-19-8-4-3-6(5-7(8)16(17)18)21-11-14-9(12)13-10(15-11)20-2/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyRMPKNMSNRNPMLE-UHFFFAOYSA-N
MW293.24 g/mol
LogP1.17
Rot. Bonds5

About 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine

4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine (PubChem CID 103202380) has the molecular formula C11H11N5O5 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
PubChem CID103202380
Molecular FormulaC11H11N5O5
Molecular Weight293.24 g/mol
Exact Mass293.08
IUPAC Name4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
SMILESCOc1nc(N)nc(Oc2ccc(OC)c([N+](=O)[O-])c2)n1
InChIInChI=1S/C11H11N5O5/c1-19-8-4-3-6(5-7(8)16(17)18)21-11-14-9(12)13-10(15-11)20-2/h3-5H,1-2H3,(H2,12,13,14,15)
InChIKeyRMPKNMSNRNPMLE-UHFFFAOYSA-N
XLogP1.17
TPSA135.52 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
2-(3-chloro-4-nitrophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 4649042
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
4-(2-fluoro-4-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870869
2-chloro-4-(4-chloro-2-nitrophenoxy)-6-methoxy-1,3,5-triazine
CID 62859653
2-chloro-4-methoxy-6-(3-methyl-4-nitrophenoxy)-1,3,5-triazine
CID 62858305
4-chloro-6-(5-methoxy-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 102703874
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
4-(4-bromo-2-methyl-6-nitrophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80870756
5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine (CID 103202380) is 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine is COc1nc(N)nc(Oc2ccc(OC)c([N+](=O)[O-])c2)n1.
What is the InChIKey of 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
The InChIKey is RMPKNMSNRNPMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O5/c1-19-8-4-3-6(5-7(8)16(17)18)21-11-14-9(12)13-10(15-11)20-2/h3-5H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine?
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine has a molecular weight of 293.24 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103202380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).