2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine

C11H17N5O4 — CID 3311824

IUPAC2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
SMILESCOc1nc(N2CC(C)OC(C)C2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O4/c1-6-4-15(5-7(2)20-6)11-13-9(12)8(16(17)18)10(14-11)19-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyLUMPEDICRRDWDG-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.59
Rot. Bonds3

About 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine

2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine (PubChem CID 3311824) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
PubChem CID3311824
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC Name2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine
SMILESCOc1nc(N2CC(C)OC(C)C2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O4/c1-6-4-15(5-7(2)20-6)11-13-9(12)8(16(17)18)10(14-11)19-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyLUMPEDICRRDWDG-UHFFFAOYSA-N
XLogP0.59
TPSA116.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.59
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine?
The IUPAC name of 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine (CID 3311824) is 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine is COc1nc(N2CC(C)OC(C)C2)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine?
The InChIKey is LUMPEDICRRDWDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c1-6-4-15(5-7(2)20-6)11-13-9(12)8(16(17)18)10(14-11)19-3/h6-7H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine?
2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine has a molecular weight of 283.29 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylmorpholin-4-yl)-6-methoxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 3311824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).