5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine

C12H12N4O5 — CID 103202406

IUPAC5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N)c2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O5/c1-19-9-4-3-7(5-8(9)16(17)18)21-12-10(20-2)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyQTACJMWKZHVXBD-UHFFFAOYSA-N
MW292.25 g/mol
LogP1.78
Rot. Bonds5

About 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine

5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine (PubChem CID 103202406) has the molecular formula C12H12N4O5 and a molecular weight of 292.25 g/mol. Its IUPAC name is 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
PubChem CID103202406
Molecular FormulaC12H12N4O5
Molecular Weight292.25 g/mol
Exact Mass292.08
IUPAC Name5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
SMILESCOc1ccc(Oc2ncnc(N)c2OC)cc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O5/c1-19-9-4-3-7(5-8(9)16(17)18)21-12-10(20-2)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyQTACJMWKZHVXBD-UHFFFAOYSA-N
XLogP1.78
TPSA122.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

5-ethyl-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202408
5-chloro-4-(4-methoxy-3-nitrophenoxy)pyrimidin-2-amine
CID 103202398
4-chloro-6-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103201625
4-methoxy-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202380
(1R)-1-[5-(4-methoxy-3-nitrophenoxy)-2-pyridinyl]ethanamine
CID 103201762
2-chloro-3-(4-methoxy-3-nitrophenoxy)-5,6-dimethylpyrazine
CID 103201617
5-iodo-2-(4-methoxy-3-nitrophenoxy)pyrimidine
CID 103202147
6-(4-chloro-3-fluorophenoxy)-5-methoxypyrimidin-4-amine
CID 82717490
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
4-(4-methoxy-3-nitrophenoxy)pyridine-2-carbonitrile
CID 103201670
4-chloro-6-(4-methoxy-3-nitrophenoxy)-1,3,5-triazin-2-amine
CID 103202386
3-(4-methoxy-3-nitrophenoxy)pyridazine-4-carbonitrile
CID 103201652

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine (CID 103202406) is 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine is COc1ccc(Oc2ncnc(N)c2OC)cc1[N+](=O)[O-].
What is the InChIKey of 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
The InChIKey is QTACJMWKZHVXBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O5/c1-19-9-4-3-7(5-8(9)16(17)18)21-12-10(20-2)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine?
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine has a molecular weight of 292.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine is sourced from PubChem (CID 103202406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).