3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one

C11H15FN4O — CID 103880018

IUPAC3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one
SMILESCCc1ncnc(NC2CCCNC2=O)c1F
InChIInChI=1S/C11H15FN4O/c1-2-7-9(12)10(15-6-14-7)16-8-4-3-5-13-11(8)17/h6,8H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyMGOSMKBBLLQTMM-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.87
Rot. Bonds3

About 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one

3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 103880018) has the molecular formula C11H15FN4O and a molecular weight of 238.27 g/mol. Its IUPAC name is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one
PubChem CID103880018
Molecular FormulaC11H15FN4O
Molecular Weight238.27 g/mol
Exact Mass238.12
IUPAC Name3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one
SMILESCCc1ncnc(NC2CCCNC2=O)c1F
InChIInChI=1S/C11H15FN4O/c1-2-7-9(12)10(15-6-14-7)16-8-4-3-5-13-11(8)17/h6,8H,2-5H2,1H3,(H,13,17)(H,14,15,16)
InChIKeyMGOSMKBBLLQTMM-UHFFFAOYSA-N
XLogP0.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(6-Ethyl-5-fluoropyrimidin-4-yl)morpholine-3-carboxamide
CID 84597644
3-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-yl]amino}piperidin-2-one
CID 56866993
2-[Ethyl-(6-ethyl-5-fluoropyrimidin-4-yl)amino]acetamide
CID 100690449
4-(6-Ethyl-5-fluoropyrimidin-4-yl)piperazin-2-one
CID 121020662
1-[1-(6-Ethyl-5-fluoropyrimidin-4-yl)azetidin-3-yl]-3-methylurea
CID 121537353
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
3-(6-amino-5-fluoropyrimidin-4-yl)-3-(cyclohexylmethylamino)-1-[(3R)-2-oxopiperidin-3-yl]piperidin-2-one
CID 67034691
1-(Azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]ethanone;ethane;trifluoro(methoxy)methane
CID 178126452
(2R)-2-[[6-(3-fluorobut-3-enyl)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 178126666
(2R)-1-(azetidin-1-yl)-2-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]propan-1-one
CID 178127103
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 75437980
[1-(6-Ethyl-5-fluoropyrimidin-4-yl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 75470607

Frequently Asked Questions

What is the IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one (CID 103880018) is 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one is CCc1ncnc(NC2CCCNC2=O)c1F.
What is the InChIKey of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is MGOSMKBBLLQTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O/c1-2-7-9(12)10(15-6-14-7)16-8-4-3-5-13-11(8)17/h6,8H,2-5H2,1H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one?
3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 238.27 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 103880018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).