6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine

C13H14N4O4 — CID 80878849

IUPAC6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc([N+](=O)[O-])ccc2OC)nc(C)n1
InChIInChI=1S/C13H14N4O4/c1-8-15-12(14-2)7-13(16-8)21-11-6-9(17(18)19)4-5-10(11)20-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyQULRBPSCWFTSTK-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.54
Rot. Bonds5

About 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine

6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine (PubChem CID 80878849) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
PubChem CID80878849
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
SMILESCNc1cc(Oc2cc([N+](=O)[O-])ccc2OC)nc(C)n1
InChIInChI=1S/C13H14N4O4/c1-8-15-12(14-2)7-13(16-8)21-11-6-9(17(18)19)4-5-10(11)20-3/h4-7H,1-3H3,(H,14,15,16)
InChIKeyQULRBPSCWFTSTK-UHFFFAOYSA-N
XLogP2.54
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80912867
[2-methyl-6-(2-methyl-5-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 80920604
N,2-dimethyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875231
6-(2-chloro-4-nitrophenoxy)-N-ethyl-2-methylpyrimidin-4-amine
CID 80878741
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
6-(2-chloro-4-nitrophenoxy)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80878734
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
6-[(2-methoxy-5-nitrophenoxy)methyl]-N-methylpyridin-2-amine
CID 79234208
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine (CID 80878849) is 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine is CNc1cc(Oc2cc([N+](=O)[O-])ccc2OC)nc(C)n1.
What is the InChIKey of 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine?
The InChIKey is QULRBPSCWFTSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-8-15-12(14-2)7-13(16-8)21-11-6-9(17(18)19)4-5-10(11)20-3/h4-7H,1-3H3,(H,14,15,16).
What are the key properties of 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine?
6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine has a molecular weight of 290.28 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80878849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).