4-(5-nitropyrimidin-2-yl)morpholine

C8H10N4O3 — CID 2842204

IUPAC4-(5-nitropyrimidin-2-yl)morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C8H10N4O3/c13-12(14)7-5-9-8(10-6-7)11-1-3-15-4-2-11/h5-6H,1-4H2
InChIKeyMBLHMKXVISWUIA-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.22
Rot. Bonds2

About 4-(5-nitropyrimidin-2-yl)morpholine

4-(5-nitropyrimidin-2-yl)morpholine (PubChem CID 2842204) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-(5-nitropyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitropyrimidin-2-yl)morpholine
PubChem CID2842204
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name4-(5-nitropyrimidin-2-yl)morpholine
SMILESO=[N+]([O-])c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C8H10N4O3/c13-12(14)7-5-9-8(10-6-7)11-1-3-15-4-2-11/h5-6H,1-4H2
InChIKeyMBLHMKXVISWUIA-UHFFFAOYSA-N
XLogP0.22
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4-(5-nitropyrimidin-2-yl)morpholine?
The IUPAC name of 4-(5-nitropyrimidin-2-yl)morpholine (CID 2842204) is 4-(5-nitropyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-(5-nitropyrimidin-2-yl)morpholine?
The canonical SMILES for 4-(5-nitropyrimidin-2-yl)morpholine is O=[N+]([O-])c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 4-(5-nitropyrimidin-2-yl)morpholine?
The InChIKey is MBLHMKXVISWUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-12(14)7-5-9-8(10-6-7)11-1-3-15-4-2-11/h5-6H,1-4H2.
What are the key properties of 4-(5-nitropyrimidin-2-yl)morpholine?
4-(5-nitropyrimidin-2-yl)morpholine has a molecular weight of 210.19 g/mol, XLogP of 0.22, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitropyrimidin-2-yl)morpholine is sourced from PubChem (CID 2842204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).