2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

C19H25FN4O2 — CID 56752776

IUPAC2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)ncn1
InChIInChI=1S/C19H25FN4O2/c20-16-5-2-1-4-15(16)11-19(13-26)6-3-8-24(12-19)18-10-17(21-7-9-25)22-14-23-18/h1-2,4-5,10,14,25-26H,3,6-9,11-13H2,(H,21,22,23)
InChIKeyDVMSADXICBPPPJ-UHFFFAOYSA-N
MW360.43 g/mol
LogP1.84
Rot. Bonds7

About 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol

2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (PubChem CID 56752776) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
PubChem CID56752776
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)ncn1
InChIInChI=1S/C19H25FN4O2/c20-16-5-2-1-4-15(16)11-19(13-26)6-3-8-24(12-19)18-10-17(21-7-9-25)22-14-23-18/h1-2,4-5,10,14,25-26H,3,6-9,11-13H2,(H,21,22,23)
InChIKeyDVMSADXICBPPPJ-UHFFFAOYSA-N
XLogP1.84
TPSA81.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

[1-(2,6-diaminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 56738717
[(3R)-3-[(2-fluorophenyl)methyl]-1-quinolin-2-ylpiperidin-3-yl]methanol
CID 95196902
[(3S)-3-[(2-fluorophenyl)methyl]-1-(3-methoxypyrazin-2-yl)piperidin-3-yl]methanol
CID 95188002
1-(2-fluorophenyl)-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 122327732
(3S)-1-(6-aminopyrimidin-4-yl)-3-[(2-fluorophenyl)methyl]piperidine-3-carboxylic acid
CID 95551628
[3-[(2,4-difluorophenyl)methyl]-1-quinoxalin-2-ylpiperidin-3-yl]methanol
CID 56760562
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-phenoxypiperidine-4-carboxylic acid
CID 56915236
2-[(6-morpholin-4-ylpyrimidin-4-yl)amino]ethanol
CID 24880632
[(3S)-3-[(2-fluorophenyl)methyl]-1-[(2-methylphenyl)methyl]piperidin-3-yl]methanol
CID 26392732
[1-(2,3-dihydro-1H-inden-2-yl)-3-[(2-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 45240458
1-[6-(2-hydroxyethylamino)pyrimidin-4-yl]-4-pyrazol-1-ylpiperidine-4-carboxylic acid
CID 56901457
[(3S)-3-[(2,4-difluorophenyl)methyl]-1-isoquinolin-1-ylpiperidin-3-yl]methanol
CID 95192495

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol (CID 56752776) is 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is OCCNc1cc(N2CCCC(CO)(Cc3ccccc3F)C2)ncn1.
What is the InChIKey of 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
The InChIKey is DVMSADXICBPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O2/c20-16-5-2-1-4-15(16)11-19(13-26)6-3-8-24(12-19)18-10-17(21-7-9-25)22-14-23-18/h1-2,4-5,10,14,25-26H,3,6-9,11-13H2,(H,21,22,23).
What are the key properties of 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol?
2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol has a molecular weight of 360.43 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[3-[(2-fluorophenyl)methyl]-3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 56752776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).