2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone

C13H20N4O2 — CID 110269085

IUPAC2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCNc1cc(CC2CCCN(C(=O)CO)C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-14-12-6-11(15-9-16-12)5-10-3-2-4-17(7-10)13(19)8-18/h6,9-10,18H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyTZJRFLKAQAQJCC-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.29
Rot. Bonds4

About 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone

2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (PubChem CID 110269085) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
PubChem CID110269085
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
SMILESCNc1cc(CC2CCCN(C(=O)CO)C2)ncn1
InChIInChI=1S/C13H20N4O2/c1-14-12-6-11(15-9-16-12)5-10-3-2-4-17(7-10)13(19)8-18/h6,9-10,18H,2-5,7-8H2,1H3,(H,14,15,16)
InChIKeyTZJRFLKAQAQJCC-UHFFFAOYSA-N
XLogP0.29
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S)-3-[[6-(methylamino)pyrimidin-4-yl]methyl]pyrrolidin-1-yl]ethanone
CID 95841407
1-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 95830306
2-hydroxy-1-[(3R)-3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 95841867
2-chloro-1-[3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone
CID 175655158
2-[4-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]cyclohexan-1-ol
CID 110090206
tert-butyl (3S)-3-[[6-(1,3,4-thiadiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843275
1-[3-[[6-[(3-methyl-2-pyridinyl)amino]pyrimidin-4-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 132764396
cyclohexyl-[(3S)-3-[[6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]methanone
CID 95843254
tert-butyl (3R)-3-[[6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-4-yl]methyl]piperidine-1-carboxylate
CID 95843277
2-cyclopentyl-1-[(6S)-6-[[6-(dimethylamino)pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepan-1-yl]ethanone
CID 95815453
3,3-dimethyl-1-[(3R)-3-[[6-(1-methylimidazol-2-yl)pyrimidin-4-yl]methyl]piperidin-1-yl]butan-1-one
CID 124949985
[3-[[6-(methylamino)pyridazin-3-yl]methyl]piperidin-1-yl]-(2-methylpyrimidin-5-yl)methanone
CID 118741492

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The IUPAC name of 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone (CID 110269085) is 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is CNc1cc(CC2CCCN(C(=O)CO)C2)ncn1.
What is the InChIKey of 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
The InChIKey is TZJRFLKAQAQJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-14-12-6-11(15-9-16-12)5-10-3-2-4-17(7-10)13(19)8-18/h6,9-10,18H,2-5,7-8H2,1H3,(H,14,15,16).
What are the key properties of 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone?
2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone has a molecular weight of 264.33 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[3-[[6-(methylamino)pyrimidin-4-yl]methyl]piperidin-1-yl]ethanone is sourced from PubChem (CID 110269085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).