5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one

C12H17FN4O — CID 103880187

IUPAC5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1ncnc(NC2CCC(=O)N(C)C2)c1F
InChIInChI=1S/C12H17FN4O/c1-3-9-11(13)12(15-7-14-9)16-8-4-5-10(18)17(2)6-8/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyCXGUGJPUOJJTDM-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.21
Rot. Bonds3

About 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one

5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 103880187) has the molecular formula C12H17FN4O and a molecular weight of 252.29 g/mol. Its IUPAC name is 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID103880187
Molecular FormulaC12H17FN4O
Molecular Weight252.29 g/mol
Exact Mass252.14
IUPAC Name5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1ncnc(NC2CCC(=O)N(C)C2)c1F
InChIInChI=1S/C12H17FN4O/c1-3-9-11(13)12(15-7-14-9)16-8-4-5-10(18)17(2)6-8/h7-8H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyCXGUGJPUOJJTDM-UHFFFAOYSA-N
XLogP1.21
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-((4,6-Dimethylpyrimidin-2-yl)amino)-1-methylpiperidin-2-one
CID 64668602
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
2-[(6-Ethyl-5-fluoropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 121583005
(3S)-3-[(5-fluoro-2,6-dimethylpyrimidin-4-yl)amino]piperidin-2-one
CID 128563070
(3S)-1-(6-ethyl-5-fluoropyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 164629934
(1S,6S)-6-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]cyclohex-3-ene-1-carboxamide
CID 164631446
6-ethyl-5-fluoro-N-[(3S)-1-(1-methylpiperidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 171359955
(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

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 103880187) is 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CCc1ncnc(NC2CCC(=O)N(C)C2)c1F.
What is the InChIKey of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is CXGUGJPUOJJTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O/c1-3-9-11(13)12(15-7-14-9)16-8-4-5-10(18)17(2)6-8/h7-8H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 252.29 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 103880187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).