(5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine

C11H15ClFN3O — CID 172608407

IUPAC(5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine
SMILESC[C@@H]1COC(C)(C)CN1c1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c1-7-5-17-11(2,3)6-16(7)9-8(13)4-14-10(12)15-9/h4,7H,5-6H2,1-3H3/t7-/m1/s1
InChIKeyIPFPMVMBMSMWLU-SSDOTTSWSA-N
MW259.71 g/mol
LogP2.27
Rot. Bonds1

About (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine

(5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine (PubChem CID 172608407) has the molecular formula C11H15ClFN3O and a molecular weight of 259.71 g/mol. Its IUPAC name is (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine.

Molecular Properties

Compound Name(5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine
PubChem CID172608407
Molecular FormulaC11H15ClFN3O
Molecular Weight259.71 g/mol
Exact Mass259.09
IUPAC Name(5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine
SMILESC[C@@H]1COC(C)(C)CN1c1nc(Cl)ncc1F
InChIInChI=1S/C11H15ClFN3O/c1-7-5-17-11(2,3)6-16(7)9-8(13)4-14-10(12)15-9/h4,7H,5-6H2,1-3H3/t7-/m1/s1
InChIKeyIPFPMVMBMSMWLU-SSDOTTSWSA-N
XLogP2.27
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine 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 (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine?
The IUPAC name of (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine (CID 172608407) is (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine.
What is the SMILES notation for (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine?
The canonical SMILES for (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine is C[C@@H]1COC(C)(C)CN1c1nc(Cl)ncc1F.
What is the InChIKey of (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine?
The InChIKey is IPFPMVMBMSMWLU-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H15ClFN3O/c1-7-5-17-11(2,3)6-16(7)9-8(13)4-14-10(12)15-9/h4,7H,5-6H2,1-3H3/t7-/m1/s1.
What are the key properties of (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine?
(5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine has a molecular weight of 259.71 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(2-chloro-5-fluoropyrimidin-4-yl)-2,2,5-trimethylmorpholine is sourced from PubChem (CID 172608407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).