4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine

C12H18FN3O2 — CID 172695039

IUPAC4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine
SMILESCCCCOc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C12H18FN3O2/c1-2-3-6-18-12-14-9-10(13)11(15-12)16-4-7-17-8-5-16/h9H,2-8H2,1H3
InChIKeyCEYQXJYGIQQYAB-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.63
Rot. Bonds5

About 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine

4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine (PubChem CID 172695039) has the molecular formula C12H18FN3O2 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine
PubChem CID172695039
Molecular FormulaC12H18FN3O2
Molecular Weight255.29 g/mol
Exact Mass255.14
IUPAC Name4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine
SMILESCCCCOc1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C12H18FN3O2/c1-2-3-6-18-12-14-9-10(13)11(15-12)16-4-7-17-8-5-16/h9H,2-8H2,1H3
InChIKeyCEYQXJYGIQQYAB-UHFFFAOYSA-N
XLogP1.63
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine?
The IUPAC name of 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine (CID 172695039) is 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine is CCCCOc1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine?
The InChIKey is CEYQXJYGIQQYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN3O2/c1-2-3-6-18-12-14-9-10(13)11(15-12)16-4-7-17-8-5-16/h9H,2-8H2,1H3.
What are the key properties of 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine?
4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine has a molecular weight of 255.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-butoxy-5-fluoropyrimidin-4-yl)morpholine is sourced from PubChem (CID 172695039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).