2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine

C11H14Cl2FN3O — CID 80550235

IUPAC2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2nc(Cl)c(F)c(Cl)n2)C1
InChIInChI=1S/C11H14Cl2FN3O/c1-6(2)17-3-4-18-7(5-17)11-15-9(12)8(14)10(13)16-11/h6-7H,3-5H2,1-2H3
InChIKeyPYXTXSGHMMELLC-UHFFFAOYSA-N
MW294.16 g/mol
LogP2.70
Rot. Bonds2

About 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine

2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine (PubChem CID 80550235) has the molecular formula C11H14Cl2FN3O and a molecular weight of 294.16 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine
PubChem CID80550235
Molecular FormulaC11H14Cl2FN3O
Molecular Weight294.16 g/mol
Exact Mass293.05
IUPAC Name2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOC(c2nc(Cl)c(F)c(Cl)n2)C1
InChIInChI=1S/C11H14Cl2FN3O/c1-6(2)17-3-4-18-7(5-17)11-15-9(12)8(14)10(13)16-11/h6-7H,3-5H2,1-2H3
InChIKeyPYXTXSGHMMELLC-UHFFFAOYSA-N
XLogP2.70
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.16
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4,6-Dichloro-5-fluoropyrimidin-2-yl)morpholine
CID 59507617
4-(5-Chloro-2,6-difluoropyrimidin-4-yl)morpholine
CID 21912455
4-[(9aS)-octahydropyrazino[2,1-c][1,4]oxazin-8-yl]-6-chloro-5-fluoro-2-methylpyrimidine
CID 86636929
4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)morpholine
CID 86644126
2,4-Dichloro-5-fluoro-6-(3-methoxyazetidin-1-yl)pyrimidine
CID 87758080
[(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
CID 87758454
[4-(2,6-Dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methanol
CID 87758456
tert-butyl-[[(3S)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane
CID 87758465
Tert-butyl-[[4-(2,6-dichloro-5-fluoropyrimidin-4-yl)morpholin-3-yl]methoxy]-dimethylsilane
CID 87758466
2,4-Dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 87758575
8-(6-chloro-5-fluoro-2-methylpyrimidin-4-yl)-3,4,6,7,9,9a-hexahydro-1H-pyrazino[2,1-c][1,4]oxazine
CID 90422601
4-Chloro-5-fluoro-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine
CID 134590187

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine?
The IUPAC name of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine (CID 80550235) is 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine?
The canonical SMILES for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine is CC(C)N1CCOC(c2nc(Cl)c(F)c(Cl)n2)C1.
What is the InChIKey of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine?
The InChIKey is PYXTXSGHMMELLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2FN3O/c1-6(2)17-3-4-18-7(5-17)11-15-9(12)8(14)10(13)16-11/h6-7H,3-5H2,1-2H3.
What are the key properties of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine?
2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine has a molecular weight of 294.16 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 80550235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).