2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine

C10H12Cl2FN3O — CID 80550167

IUPAC2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine
SMILESCCN1CCOC(c2nc(Cl)c(F)c(Cl)n2)C1
InChIInChI=1S/C10H12Cl2FN3O/c1-2-16-3-4-17-6(5-16)10-14-8(11)7(13)9(12)15-10/h6H,2-5H2,1H3
InChIKeyZJXAIUPCCLPGPS-UHFFFAOYSA-N
MW280.13 g/mol
LogP2.32
Rot. Bonds2

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

2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine (PubChem CID 80550167) has the molecular formula C10H12Cl2FN3O and a molecular weight of 280.13 g/mol. Its IUPAC name is 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine.

Molecular Properties

Compound Name2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine
PubChem CID80550167
Molecular FormulaC10H12Cl2FN3O
Molecular Weight280.13 g/mol
Exact Mass279.03
IUPAC Name2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine
SMILESCCN1CCOC(c2nc(Cl)c(F)c(Cl)n2)C1
InChIInChI=1S/C10H12Cl2FN3O/c1-2-16-3-4-17-6(5-16)10-14-8(11)7(13)9(12)15-10/h6H,2-5H2,1H3
InChIKeyZJXAIUPCCLPGPS-UHFFFAOYSA-N
XLogP2.32
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,6-Dichloropyrimidin-4-yl)morpholine
CID 11586699
4-(2,5,6-Trifluoropyrimidin-4-yl)morpholine
CID 46910334
4-(4,6-Dichloro-5-fluoropyrimidin-2-yl)morpholine
CID 59507617
4-(5-Chloro-2,6-difluoropyrimidin-4-yl)morpholine
CID 21912455
4-(6-Chloro-2-trifluoromethylpyrimidin-4-yl)morpholine
CID 46738256
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
2,4-Dichloro-5-fluoro-6-(4-methoxypiperidin-1-yl)pyrimidine
CID 87758575
4-Chloro-5-fluoro-2-methyl-6-[4-(oxetan-3-yl)piperazin-1-yl]pyrimidine
CID 134590187
4-(6-Fluoro-2,5-dimethylpyrimidin-4-yl)morpholine
CID 143118990

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine?
The IUPAC name of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine (CID 80550167) is 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine.
What is the SMILES notation for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine?
The canonical SMILES for 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine is CCN1CCOC(c2nc(Cl)c(F)c(Cl)n2)C1.
What is the InChIKey of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine?
The InChIKey is ZJXAIUPCCLPGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2FN3O/c1-2-16-3-4-17-6(5-16)10-14-8(11)7(13)9(12)15-10/h6H,2-5H2,1H3.
What are the key properties of 2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine?
2-(4,6-dichloro-5-fluoropyrimidin-2-yl)-4-ethylmorpholine has a molecular weight of 280.13 g/mol, XLogP of 2.32, 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-ethylmorpholine is sourced from PubChem (CID 80550167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).