4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine

C15H15FN4O4 — CID 3810543

IUPAC4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)nc(Oc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN4O4/c1-10-13(20(21)22)14(24-12-5-3-2-4-11(12)16)18-15(17-10)19-6-8-23-9-7-19/h2-5H,6-9H2,1H3
InChIKeyGNYCEQKQLQSBOC-UHFFFAOYSA-N
MW334.31 g/mol
LogP2.46
Rot. Bonds4

About 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine

4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine (PubChem CID 3810543) has the molecular formula C15H15FN4O4 and a molecular weight of 334.31 g/mol. Its IUPAC name is 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine
PubChem CID3810543
Molecular FormulaC15H15FN4O4
Molecular Weight334.31 g/mol
Exact Mass334.11
IUPAC Name4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine
SMILESCc1nc(N2CCOCC2)nc(Oc2ccccc2F)c1[N+](=O)[O-]
InChIInChI=1S/C15H15FN4O4/c1-10-13(20(21)22)14(24-12-5-3-2-4-11(12)16)18-15(17-10)19-6-8-23-9-7-19/h2-5H,6-9H2,1H3
InChIKeyGNYCEQKQLQSBOC-UHFFFAOYSA-N
XLogP2.46
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 52.46
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'}

Analyze 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine (CID 3810543) is 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine is Cc1nc(N2CCOCC2)nc(Oc2ccccc2F)c1[N+](=O)[O-].
What is the InChIKey of 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine?
The InChIKey is GNYCEQKQLQSBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O4/c1-10-13(20(21)22)14(24-12-5-3-2-4-11(12)16)18-15(17-10)19-6-8-23-9-7-19/h2-5H,6-9H2,1H3.
What are the key properties of 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine?
4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine has a molecular weight of 334.31 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-fluorophenoxy)-6-methyl-5-nitropyrimidin-2-yl]morpholine is sourced from PubChem (CID 3810543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).