3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

C13H19FN4O2 — CID 103879802

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncnc(NCCC(=O)N2CCOCC2)c1F
InChIInChI=1S/C13H19FN4O2/c1-2-10-12(14)13(17-9-16-10)15-4-3-11(19)18-5-7-20-8-6-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyGWSSZNPNYBXUML-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.84
Rot. Bonds5

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one

3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (PubChem CID 103879802) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
PubChem CID103879802
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one
SMILESCCc1ncnc(NCCC(=O)N2CCOCC2)c1F
InChIInChI=1S/C13H19FN4O2/c1-2-10-12(14)13(17-9-16-10)15-4-3-11(19)18-5-7-20-8-6-18/h9H,2-8H2,1H3,(H,15,16,17)
InChIKeyGWSSZNPNYBXUML-UHFFFAOYSA-N
XLogP0.84
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(5-fluoropyrimidin-4-yl)-3-methyl-2-[(3R)-3-methylmorpholin-4-yl]-1,3-diazinan-4-one
CID 91799576
N-{2-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50973072
4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
Morpholin-4-yl-[4-(propan-2-ylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]methanone
CID 97516507
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
2-{[1-(6-Ethyl-5-fluoropyrimidin-4-yl)piperidin-4-yl]amino}ethan-1-ol
CID 132376174
6-ethyl-5-fluoro-N-(oxetan-3-yl)pyrimidin-4-amine
CID 90249316
Ethyl 3-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]propanoate
CID 130254194
1-(Azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
CID 178126452
(2R)-1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178127103
N-[(4-acetylmorpholin-2-yl)methyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56875028
2-(6-Ethyl-5-fluoropyrimidin-4-YL)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72883936

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one (CID 103879802) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is CCc1ncnc(NCCC(=O)N2CCOCC2)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
The InChIKey is GWSSZNPNYBXUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c1-2-10-12(14)13(17-9-16-10)15-4-3-11(19)18-5-7-20-8-6-18/h9H,2-8H2,1H3,(H,15,16,17).
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one has a molecular weight of 282.32 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-morpholin-4-ylpropan-1-one is sourced from PubChem (CID 103879802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).