2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol

C19H26N6O2 — CID 119065362

IUPAC2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(C2CCOC2)cc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C19H26N6O2/c26-11-6-21-19-22-17(15-3-12-27-14-15)13-18(23-19)25-9-7-24(8-10-25)16-1-4-20-5-2-16/h1-2,4-5,13,15,26H,3,6-12,14H2,(H,21,22,23)
InChIKeyXIIAXXUOSRSPIY-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.11
Rot. Bonds6

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

2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol (PubChem CID 119065362) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
PubChem CID119065362
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(C2CCOC2)cc(N2CCN(c3ccncc3)CC2)n1
InChIInChI=1S/C19H26N6O2/c26-11-6-21-19-22-17(15-3-12-27-14-15)13-18(23-19)25-9-7-24(8-10-25)16-1-4-20-5-2-16/h1-2,4-5,13,15,26H,3,6-12,14H2,(H,21,22,23)
InChIKeyXIIAXXUOSRSPIY-UHFFFAOYSA-N
XLogP1.11
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-[[4-[(3R)-oxolan-3-yl]-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 126435809
2-[[4-[(3R)-oxolan-3-yl]-6-piperidin-1-ylpyrimidin-2-yl]amino]ethanol
CID 126431392
2-[[4-[(3S)-oxolan-3-yl]-6-thiomorpholin-4-ylpyrimidin-2-yl]amino]ethanol
CID 126452524
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-[1-[2-(2-hydroxyethylamino)-6-[(3S)-oxolan-3-yl]pyrimidin-4-yl]piperidin-4-yl]propan-2-ol
CID 126425917
2-[[4-(oxolan-3-yl)-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-2-yl]amino]ethanol
CID 119060374
cyclobutyl-[4-[2-(2-hydroxyethylamino)-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
CID 126444272
2-[[4-(4-ethoxypiperidin-1-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126446709
2-[[4-(2,2-diethylmorpholin-4-yl)-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]amino]ethanol
CID 126436985
2-[[4-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119060057
2-[[4-(oxan-4-ylmethylamino)-6-(oxolan-3-yl)pyrimidin-2-yl]amino]ethanol
CID 119061466

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol (CID 119065362) is 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol is OCCNc1nc(C2CCOC2)cc(N2CCN(c3ccncc3)CC2)n1.
What is the InChIKey of 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
The InChIKey is XIIAXXUOSRSPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c26-11-6-21-19-22-17(15-3-12-27-14-15)13-18(23-19)25-9-7-24(8-10-25)16-1-4-20-5-2-16/h1-2,4-5,13,15,26H,3,6-12,14H2,(H,21,22,23).
What are the key properties of 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol?
2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol has a molecular weight of 370.46 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(oxolan-3-yl)-6-(4-pyridin-4-ylpiperazin-1-yl)pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 119065362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).