1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one

C13H21N5O2 — CID 131945132

IUPAC1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCNc1cc(NCCO)ncn1
InChIInChI=1S/C13H21N5O2/c19-8-5-15-12-9-11(16-10-17-12)14-4-7-18-6-2-1-3-13(18)20/h9-10,19H,1-8H2,(H2,14,15,16,17)
InChIKeyRYXBIAOCZHTAJC-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.31
Rot. Bonds7

About 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one

1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one (PubChem CID 131945132) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one.

Molecular Properties

Compound Name1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one
PubChem CID131945132
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one
SMILESO=C1CCCCN1CCNc1cc(NCCO)ncn1
InChIInChI=1S/C13H21N5O2/c19-8-5-15-12-9-11(16-10-17-12)14-4-7-18-6-2-1-3-13(18)20/h9-10,19H,1-8H2,(H2,14,15,16,17)
InChIKeyRYXBIAOCZHTAJC-UHFFFAOYSA-N
XLogP0.31
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-[[6-(4-phenoxyanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117093882
1-[2-[(3,6-dimethylpyrazin-2-yl)amino]ethyl]piperidin-2-one
CID 131894861
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
1-(4-hydroxybutyl)azepan-2-one
CID 43509760
1-[2-[(6-chloro-4-methylquinolin-2-yl)amino]ethyl]piperidin-2-one
CID 131907640
1-[2-(tert-butylamino)ethyl]azepan-2-one
CID 61387620
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
1-[2-[[4-(4-hydroxypiperidin-1-yl)pyrimidin-2-yl]amino]ethyl]piperidin-2-one
CID 131915588
1-[2-(ethylamino)ethyl]piperidin-2-one
CID 61387338
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-[3-[[2-amino-6-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117081350

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one?
The IUPAC name of 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one (CID 131945132) is 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one.
What is the SMILES notation for 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one?
The canonical SMILES for 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one is O=C1CCCCN1CCNc1cc(NCCO)ncn1.
What is the InChIKey of 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one?
The InChIKey is RYXBIAOCZHTAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c19-8-5-15-12-9-11(16-10-17-12)14-4-7-18-6-2-1-3-13(18)20/h9-10,19H,1-8H2,(H2,14,15,16,17).
What are the key properties of 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one?
1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one has a molecular weight of 279.34 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[6-(2-hydroxyethylamino)pyrimidin-4-yl]amino]ethyl]piperidin-2-one is sourced from PubChem (CID 131945132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).