2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol

C15H24FN5O — CID 50954441

IUPAC2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(c2ncc(F)c(N3CCCC3)n2)CC1CCO
InChIInChI=1S/C15H24FN5O/c1-19-7-8-21(11-12(19)4-9-22)15-17-10-13(16)14(18-15)20-5-2-3-6-20/h10,12,22H,2-9,11H2,1H3
InChIKeyODHNZCGUGLKSRQ-UHFFFAOYSA-N
MW309.39 g/mol
LogP0.72
Rot. Bonds4

About 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol

2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol (PubChem CID 50954441) has the molecular formula C15H24FN5O and a molecular weight of 309.39 g/mol. Its IUPAC name is 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
PubChem CID50954441
Molecular FormulaC15H24FN5O
Molecular Weight309.39 g/mol
Exact Mass309.20
IUPAC Name2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
SMILESCN1CCN(c2ncc(F)c(N3CCCC3)n2)CC1CCO
InChIInChI=1S/C15H24FN5O/c1-19-7-8-21(11-12(19)4-9-22)15-17-10-13(16)14(18-15)20-5-2-3-6-20/h10,12,22H,2-9,11H2,1H3
InChIKeyODHNZCGUGLKSRQ-UHFFFAOYSA-N
XLogP0.72
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-Amino-5-methylpyrimidin-4-YL)piperazin-1-YL]propan-1-OL
CID 72889129
{(3R*,4S*)-4-[(4-ethylpiperazin-1-yl)methyl]-1-[(2-isopropylpyrimidin-5-yl)methyl]pyrrolidin-3-yl}methanol
CID 72923742
(3R,5R)-5-((dimethylamino)methyl)-1-(6-fluoropyrimidin-4-yl)pyrrolidin-3-ol
CID 165738809
(5-Fluoro-2-pyrimidinyl)-1-piperazinebutanol
CID 129664839
2-[(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
CID 50962051
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
CID 98770636
2-(4-{1-[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl}piperazin-1-yl)ethanol
CID 134699624
2-[(2S,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 137992414
(3S)-1-[2-[4-(4-methoxybutyl)piperazin-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol
CID 171359645
(7S,8aS)-7-hydroxymethyl-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886071
(7R,8aS)-7-hydroxy-2-(5-fluoropyrimidin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine
CID 15886074

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol (CID 50954441) is 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol is CN1CCN(c2ncc(F)c(N3CCCC3)n2)CC1CCO.
What is the InChIKey of 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
The InChIKey is ODHNZCGUGLKSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FN5O/c1-19-7-8-21(11-12(19)4-9-22)15-17-10-13(16)14(18-15)20-5-2-3-6-20/h10,12,22H,2-9,11H2,1H3.
What are the key properties of 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol?
2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol has a molecular weight of 309.39 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol is sourced from PubChem (CID 50954441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).