4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine

C11H16N4O4 — CID 10635583

IUPAC4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
SMILESCCOc1nc(C)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C11H16N4O4/c1-3-19-11-12-8(2)9(15(16)17)10(13-11)14-4-6-18-7-5-14/h3-7H2,1-2H3
InChIKeyVAXRZBQZQAFBLX-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.93
Rot. Bonds4

About 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine

4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine (PubChem CID 10635583) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
PubChem CID10635583
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine
SMILESCCOc1nc(C)c([N+](=O)[O-])c(N2CCOCC2)n1
InChIInChI=1S/C11H16N4O4/c1-3-19-11-12-8(2)9(15(16)17)10(13-11)14-4-6-18-7-5-14/h3-7H2,1-2H3
InChIKeyVAXRZBQZQAFBLX-UHFFFAOYSA-N
XLogP0.93
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.93
H-Bond Donors ≤ 50
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-(methoxymethyl)-6-methyl-2-morpholin-4-yl-5-nitropyridine-3-carbonitrile
CID 3698261
N-methyl-2-(6-methyl-2-morpholin-4-yl-5-nitropyrimidin-4-yl)oxyethanamine
CID 3725334
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
CID 23489628
4,5-dimethyl-N-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 23489587
N-butyl-N-methyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23489511
N-(4-ethoxyphenyl)-7-morpholin-4-yl-4-nitro-2,1,3-benzoxadiazol-5-amine
CID 2937325
4-N-cyclohexyl-2-N-methyl-6-morpholin-4-yl-5-nitropyrimidine-2,4-diamine
CID 50904402
4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
CID 19827688
6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 7562246
ethyl 5-ethoxy-6-morpholin-4-ylpyrimidine-4-carboxylate
CID 123952017
4-(3,6-dibutoxy-2-nitrophenyl)morpholine
CID 14047752

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine (CID 10635583) is 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine is CCOc1nc(C)c([N+](=O)[O-])c(N2CCOCC2)n1.
What is the InChIKey of 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine?
The InChIKey is VAXRZBQZQAFBLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-3-19-11-12-8(2)9(15(16)17)10(13-11)14-4-6-18-7-5-14/h3-7H2,1-2H3.
What are the key properties of 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine?
4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine has a molecular weight of 268.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxy-6-methyl-5-nitropyrimidin-4-yl)morpholine is sourced from PubChem (CID 10635583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).