2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine

C13H14N4O4 — CID 80938897

IUPAC2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cc([N+](=O)[O-])ccc2OC)n1
InChIInChI=1S/C13H14N4O4/c1-3-12-15-11(14)7-13(16-12)21-10-6-8(17(18)19)4-5-9(10)20-2/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyLYLCUWNCCLKFBS-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.33
Rot. Bonds5

About 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine

2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80938897) has the molecular formula C13H14N4O4 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
PubChem CID80938897
Molecular FormulaC13H14N4O4
Molecular Weight290.28 g/mol
Exact Mass290.10
IUPAC Name2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
SMILESCCc1nc(N)cc(Oc2cc([N+](=O)[O-])ccc2OC)n1
InChIInChI=1S/C13H14N4O4/c1-3-12-15-11(14)7-13(16-12)21-10-6-8(17(18)19)4-5-9(10)20-2/h4-7H,3H2,1-2H3,(H2,14,15,16)
InChIKeyLYLCUWNCCLKFBS-UHFFFAOYSA-N
XLogP2.33
TPSA113.40 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 ≤ 52.33
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-chloro-5-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80942269
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80871254
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
6-(2,5-dibromo-4-methoxyphenoxy)-2-ethylpyrimidin-4-amine
CID 80937801
[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80912867
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80878849
6-(2-fluoro-4-nitrophenoxy)pyrimidine-2,4-diamine
CID 80871675
6-(2-nitrophenoxy)-2-propylpyrimidin-4-amine
CID 80950579
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine (CID 80938897) is 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine is CCc1nc(N)cc(Oc2cc([N+](=O)[O-])ccc2OC)n1.
What is the InChIKey of 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is LYLCUWNCCLKFBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4/c1-3-12-15-11(14)7-13(16-12)21-10-6-8(17(18)19)4-5-9(10)20-2/h4-7H,3H2,1-2H3,(H2,14,15,16).
What are the key properties of 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 290.28 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 80938897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).