2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol

C19H30FN5O2 — CID 70743374

IUPAC2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESOCCC1CN(c2ncc(F)c(N3CCOCC3)n2)CCN1C1CCCC1
InChIInChI=1S/C19H30FN5O2/c20-17-13-21-19(22-18(17)23-8-11-27-12-9-23)24-6-7-25(15-3-1-2-4-15)16(14-24)5-10-26/h13,15-16,26H,1-12,14H2
InChIKeyZLASPHLTIFQSLB-UHFFFAOYSA-N
MW379.48 g/mol
LogP1.27
Rot. Bonds5

About 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol

2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol (PubChem CID 70743374) has the molecular formula C19H30FN5O2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
PubChem CID70743374
Molecular FormulaC19H30FN5O2
Molecular Weight379.48 g/mol
Exact Mass379.24
IUPAC Name2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESOCCC1CN(c2ncc(F)c(N3CCOCC3)n2)CCN1C1CCCC1
InChIInChI=1S/C19H30FN5O2/c20-17-13-21-19(22-18(17)23-8-11-27-12-9-23)24-6-7-25(15-3-1-2-4-15)16(14-24)5-10-26/h13,15-16,26H,1-12,14H2
InChIKeyZLASPHLTIFQSLB-UHFFFAOYSA-N
XLogP1.27
TPSA64.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.48
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(5-Fluoro-2-morpholin-4-ylpyrimidin-4-yl)morpholine
CID 616971
2-[8-(5-Fluoropyrimidin-2-yl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
CID 118743010
(3-Endo)-8-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 50951084
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
4-[5-fluoro-2-[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]pyrimidin-4-yl]morpholine
CID 97443668
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
(4S)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)azepan-4-ol
CID 164637120
3-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-1,3-oxazinane
CID 3479212
4-(5-Fluoro-2-piperidylpyrimidin-4-yl)morpholine
CID 3631524
2,2'-{[5-Fluoro-2-(1-piperidinyl)-4-pyrimidinyl]imino}diethanol hydrochloride
CID 5096429
2-[4-(5-Fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-1-methylpiperazin-2-yl]ethanol
CID 50954441

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol (CID 70743374) is 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol is OCCC1CN(c2ncc(F)c(N3CCOCC3)n2)CCN1C1CCCC1.
What is the InChIKey of 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The InChIKey is ZLASPHLTIFQSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN5O2/c20-17-13-21-19(22-18(17)23-8-11-27-12-9-23)24-6-7-25(15-3-1-2-4-15)16(14-24)5-10-26/h13,15-16,26H,1-12,14H2.
What are the key properties of 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol has a molecular weight of 379.48 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 70743374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).