2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

C17H28N4O3 — CID 126446709

IUPAC2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCCOC1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-2-24-14-3-7-21(8-4-14)16-11-15(13-5-10-23-12-13)19-17(20-16)18-6-9-22/h11,13-14,22H,2-10,12H2,1H3,(H,18,19,20)/t13-/m1/s1
InChIKeyAJBCSOBFAYFTEK-CYBMUJFWSA-N
MW336.44 g/mol
LogP1.39
Rot. Bonds7

About 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol

2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (PubChem CID 126446709) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
PubChem CID126446709
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
SMILESCCOC1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1
InChIInChI=1S/C17H28N4O3/c1-2-24-14-3-7-21(8-4-14)16-11-15(13-5-10-23-12-13)19-17(20-16)18-6-9-22/h11,13-14,22H,2-10,12H2,1H3,(H,18,19,20)/t13-/m1/s1
InChIKeyAJBCSOBFAYFTEK-CYBMUJFWSA-N
XLogP1.39
TPSA79.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol with MolForge

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Related Compounds

2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
2-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
CID 126425917
2-[[4-[(3R)-oxolan-3-yl]-6-(4-propylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126424481
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126451809
2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
CID 126452524
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119065362
2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 126444272
2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060057
2-[[4-[(1-methylpiperidin-4-yl)methylamino]-6-[(3R)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126440634

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol (CID 126446709) is 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is CCOC1CCN(c2cc([C@@H]3CCOC3)nc(NCCO)n2)CC1.
What is the InChIKey of 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
The InChIKey is AJBCSOBFAYFTEK-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-2-24-14-3-7-21(8-4-14)16-11-15(13-5-10-23-12-13)19-17(20-16)18-6-9-22/h11,13-14,22H,2-10,12H2,1H3,(H,18,19,20)/t13-/m1/s1.
What are the key properties of 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol?
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol has a molecular weight of 336.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 126446709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).