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

C11H10N4O4 — CID 80871254

IUPAC6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(N)ncn1
InChIInChI=1S/C11H10N4O4/c1-18-8-3-2-7(15(16)17)4-9(8)19-11-5-10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14)
InChIKeyILADZKYWKTWUAZ-UHFFFAOYSA-N
MW262.23 g/mol
LogP1.77
Rot. Bonds4

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

6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine (PubChem CID 80871254) has the molecular formula C11H10N4O4 and a molecular weight of 262.23 g/mol. Its IUPAC name is 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
PubChem CID80871254
Molecular FormulaC11H10N4O4
Molecular Weight262.23 g/mol
Exact Mass262.07
IUPAC Name6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
SMILESCOc1ccc([N+](=O)[O-])cc1Oc1cc(N)ncn1
InChIInChI=1S/C11H10N4O4/c1-18-8-3-2-7(15(16)17)4-9(8)19-11-5-10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14)
InChIKeyILADZKYWKTWUAZ-UHFFFAOYSA-N
XLogP1.77
TPSA113.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.77
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

4-fluoro-6-(2-methoxy-4-nitrophenoxy)pyrimidine
CID 113305652
2-ethyl-6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine
CID 80938897
2-fluoro-6-(2-methoxy-5-nitrophenoxy)pyridine
CID 61227798
5-chloro-4-(2-methoxy-5-nitrophenoxy)pyrimidin-2-amine
CID 80870767
4-chloro-6-(2-methoxy-4-nitrophenoxy)pyrimidin-2-amine
CID 78916228
[6-(2-methoxy-5-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80912867
2-(2-fluoro-4-nitrophenoxy)-1-methoxy-4-nitrobenzene
CID 154791901
4-(2-fluoro-4-nitrophenoxy)-6-methylpyrimidine
CID 143321178
2-(2-methoxy-5-nitrophenoxy)ethanamine
CID 18980081
2-bromo-6-(2-methoxy-4-nitrophenoxy)pyridine
CID 63961925
6-(2-methoxy-5-nitrophenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80878849
3,5-bis(2-methoxy-4-nitrophenoxy)aniline
CID 87090189

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine (CID 80871254) is 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine is COc1ccc([N+](=O)[O-])cc1Oc1cc(N)ncn1.
What is the InChIKey of 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is ILADZKYWKTWUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O4/c1-18-8-3-2-7(15(16)17)4-9(8)19-11-5-10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine?
6-(2-methoxy-5-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 262.23 g/mol, XLogP of 1.77, 4 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)pyrimidin-4-amine is sourced from PubChem (CID 80871254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).