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

C12H18N4O — CID 64668199

IUPAC5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1cc(NC2CCC(=O)N(C)C2)ncn1
InChIInChI=1S/C12H18N4O/c1-3-9-6-11(14-8-13-9)15-10-4-5-12(17)16(2)7-10/h6,8,10H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZGFIBGBUQPTMIR-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.07
Rot. Bonds3

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

5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (PubChem CID 64668199) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
PubChem CID64668199
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
SMILESCCc1cc(NC2CCC(=O)N(C)C2)ncn1
InChIInChI=1S/C12H18N4O/c1-3-9-6-11(14-8-13-9)15-10-4-5-12(17)16(2)7-10/h6,8,10H,3-5,7H2,1-2H3,(H,13,14,15)
InChIKeyZGFIBGBUQPTMIR-UHFFFAOYSA-N
XLogP1.07
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 134710911
(5S)-5-[(2,6-dimethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 97003688
N-(3,3-dimethylcyclopentyl)-6-ethylpyrimidin-4-amine
CID 115880999
4-[(6-ethylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 105023361
6-ethyl-N-(4-methylsulfanylcyclohexyl)pyrimidin-4-amine
CID 114123935
4-[(6-ethylpyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 61240888
1-methyl-5-[[6-(methylamino)pyrazin-2-yl]amino]piperidin-2-one
CID 80843926
5-[(6-chloro-5-methylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64669042
5-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 80826875
6-ethyl-N-(3-methylsulfanylcyclopentyl)pyrimidin-4-amine
CID 103704181
2-[4-[(6-ethylpyrimidin-4-yl)amino]piperidin-1-yl]acetonitrile
CID 55248845
5-[(5-amino-6-chloropyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 64655109

Frequently Asked Questions

What is the IUPAC name of 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one (CID 64668199) is 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is CCc1cc(NC2CCC(=O)N(C)C2)ncn1.
What is the InChIKey of 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
The InChIKey is ZGFIBGBUQPTMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-3-9-6-11(14-8-13-9)15-10-4-5-12(17)16(2)7-10/h6,8,10H,3-5,7H2,1-2H3,(H,13,14,15).
What are the key properties of 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one?
5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-ethylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 64668199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).