4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine

C11H16N4O4 — CID 23489628

IUPAC4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
SMILESCC(C)Oc1ncnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4/c1-8(2)19-11-9(15(16)17)10(12-7-13-11)14-3-5-18-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyIEZNQTKEZXWCDV-UHFFFAOYSA-N
MW268.27 g/mol
LogP1.01
Rot. Bonds4

About 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine

4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine (PubChem CID 23489628) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
PubChem CID23489628
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine
SMILESCC(C)Oc1ncnc(N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C11H16N4O4/c1-8(2)19-11-9(15(16)17)10(12-7-13-11)14-3-5-18-6-4-14/h7-8H,3-6H2,1-2H3
InChIKeyIEZNQTKEZXWCDV-UHFFFAOYSA-N
XLogP1.01
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 ≤ 51.01
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-(5-nitro-6-pyridin-3-yloxypyrimidin-4-yl)morpholine
CID 3864052
4-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]morpholine
CID 23489641
1-[1-(6-methoxy-5-nitropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106837258
6-morpholin-4-yl-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23489551
6-morpholin-4-yl-5-nitro-N-propylpyrimidin-4-amine
CID 23487272
N-butyl-N-methyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23489511
1-[7-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)oxy-1-benzofuran-2-yl]ethanone
CID 3332008
4,5-dimethyl-N-(6-morpholin-4-yl-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 23489587
N-cyclohexyl-6-morpholin-4-yl-5-nitropyrimidin-4-amine
CID 23487672
4,6-bis(4-methylpiperazin-1-yl)-5-nitropyrimidine
CID 7584049
4-(4-methoxyphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489310
5-nitro-N-propan-2-yl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 23487470

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine (CID 23489628) is 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine is CC(C)Oc1ncnc(N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine?
The InChIKey is IEZNQTKEZXWCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-8(2)19-11-9(15(16)17)10(12-7-13-11)14-3-5-18-6-4-14/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine?
4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine has a molecular weight of 268.27 g/mol, XLogP of 1.01, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-6-propan-2-yloxypyrimidin-4-yl)morpholine is sourced from PubChem (CID 23489628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).