4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine

C9H11ClFN3O — CID 79081430

IUPAC4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
SMILESCC1CN(c2nc(Cl)ncc2F)CCO1
InChIInChI=1S/C9H11ClFN3O/c1-6-5-14(2-3-15-6)8-7(11)4-12-9(10)13-8/h4,6H,2-3,5H2,1H3
InChIKeyRLFUAZLPJDBDAZ-UHFFFAOYSA-N
MW231.66 g/mol
LogP1.49
Rot. Bonds1

About 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine

4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine (PubChem CID 79081430) has the molecular formula C9H11ClFN3O and a molecular weight of 231.66 g/mol. Its IUPAC name is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine.

Molecular Properties

Compound Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
PubChem CID79081430
Molecular FormulaC9H11ClFN3O
Molecular Weight231.66 g/mol
Exact Mass231.06
IUPAC Name4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine
SMILESCC1CN(c2nc(Cl)ncc2F)CCO1
InChIInChI=1S/C9H11ClFN3O/c1-6-5-14(2-3-15-6)8-7(11)4-12-9(10)13-8/h4,6H,2-3,5H2,1H3
InChIKeyRLFUAZLPJDBDAZ-UHFFFAOYSA-N
XLogP1.49
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.66
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine?
The IUPAC name of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine (CID 79081430) is 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine.
What is the SMILES notation for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine?
The canonical SMILES for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine is CC1CN(c2nc(Cl)ncc2F)CCO1.
What is the InChIKey of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine?
The InChIKey is RLFUAZLPJDBDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFN3O/c1-6-5-14(2-3-15-6)8-7(11)4-12-9(10)13-8/h4,6H,2-3,5H2,1H3.
What are the key properties of 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine?
4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine has a molecular weight of 231.66 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-fluoropyrimidin-4-yl)-2-methylmorpholine is sourced from PubChem (CID 79081430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).