3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one

C12H19N5O — CID 80817246

IUPAC3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1ncnc(NC2CCCNC2=O)c1C
InChIInChI=1S/C12H19N5O/c1-3-13-10-8(2)11(16-7-15-10)17-9-5-4-6-14-12(9)18/h7,9H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16,17)
InChIKeyNAJWWBKLCKZDJT-UHFFFAOYSA-N
MW249.32 g/mol
LogP0.91
Rot. Bonds4

About 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one

3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one (PubChem CID 80817246) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one.

Molecular Properties

Compound Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
PubChem CID80817246
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one
SMILESCCNc1ncnc(NC2CCCNC2=O)c1C
InChIInChI=1S/C12H19N5O/c1-3-13-10-8(2)11(16-7-15-10)17-9-5-4-6-14-12(9)18/h7,9H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16,17)
InChIKeyNAJWWBKLCKZDJT-UHFFFAOYSA-N
XLogP0.91
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one?
The IUPAC name of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one (CID 80817246) is 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one.
What is the SMILES notation for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one?
The canonical SMILES for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one is CCNc1ncnc(NC2CCCNC2=O)c1C.
What is the InChIKey of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one?
The InChIKey is NAJWWBKLCKZDJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-3-13-10-8(2)11(16-7-15-10)17-9-5-4-6-14-12(9)18/h7,9H,3-6H2,1-2H3,(H,14,18)(H2,13,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one?
3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one has a molecular weight of 249.32 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]piperidin-2-one is sourced from PubChem (CID 80817246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).