3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine

C13H18FN3O — CID 84600131

IUPAC3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine
SMILESCCc1ncnc(N2CCOCC2C2CC2)c1F
InChIInChI=1S/C13H18FN3O/c1-2-10-12(14)13(16-8-15-10)17-5-6-18-7-11(17)9-3-4-9/h8-9,11H,2-7H2,1H3
InChIKeyIVZDUFAYLLJEFW-UHFFFAOYSA-N
MW251.30 g/mol
LogP1.79
Rot. Bonds3

About 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine

3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine (PubChem CID 84600131) has the molecular formula C13H18FN3O and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine
PubChem CID84600131
Molecular FormulaC13H18FN3O
Molecular Weight251.30 g/mol
Exact Mass251.14
IUPAC Name3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine
SMILESCCc1ncnc(N2CCOCC2C2CC2)c1F
InChIInChI=1S/C13H18FN3O/c1-2-10-12(14)13(16-8-15-10)17-5-6-18-7-11(17)9-3-4-9/h8-9,11H,2-7H2,1H3
InChIKeyIVZDUFAYLLJEFW-UHFFFAOYSA-N
XLogP1.79
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-ethyl-5-fluoro-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 84592103
2-[4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholin-3-yl]ethanol
CID 84598943
N-cyclopropyl-6-ethyl-5-fluoro-N-propylpyrimidin-4-amine
CID 75450201
(2S)-4-(6-tert-butylpyrimidin-4-yl)-2-(2-fluoroethyl)morpholine
CID 164642275
2-{[1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]amino}ethan-1-ol
CID 132376174
4-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)morpholine
CID 59618121
4-(5-Fluoro-6-methylpyrimidin-4-yl)morpholine
CID 126972140
5-fluoro-N-(oxetan-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 134598554
(3R)-4-[2-chloro-6-(2-fluoropropan-2-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 137550452
4-[2-(2,2-Difluoro-3-methylcyclopropyl)-6-ethylpyrimidin-4-yl]morpholine;ethane
CID 144739971
4-But-2-ynyl-6-(3,5-dimethoxypiperidin-1-yl)-5-fluoropyrimidine
CID 174724614
4-(6-Propan-2-ylpyrimidin-4-yl)-2-(trifluoromethyl)morpholine
CID 56871724

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine?
The IUPAC name of 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine (CID 84600131) is 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine.
What is the SMILES notation for 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine?
The canonical SMILES for 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine is CCc1ncnc(N2CCOCC2C2CC2)c1F.
What is the InChIKey of 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine?
The InChIKey is IVZDUFAYLLJEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O/c1-2-10-12(14)13(16-8-15-10)17-5-6-18-7-11(17)9-3-4-9/h8-9,11H,2-7H2,1H3.
What are the key properties of 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine?
3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine has a molecular weight of 251.30 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-4-(6-ethyl-5-fluoropyrimidin-4-yl)morpholine is sourced from PubChem (CID 84600131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).