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

C19H30FN5O2 — CID 98770636

IUPAC2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(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/t16-/m0/s1
InChIKeyZLASPHLTIFQSLB-INIZCTEOSA-N
MW379.48 g/mol
LogP1.27
Rot. Bonds5

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

2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol (PubChem CID 98770636) has the molecular formula C19H30FN5O2 and a molecular weight of 379.48 g/mol. Its IUPAC name is 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
PubChem CID98770636
Molecular FormulaC19H30FN5O2
Molecular Weight379.48 g/mol
Exact Mass379.24
IUPAC Name2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol
SMILESOCC[C@H]1CN(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/t16-/m0/s1
InChIKeyZLASPHLTIFQSLB-INIZCTEOSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol (CID 98770636) is 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol is OCC[C@H]1CN(c2ncc(F)c(N3CCOCC3)n2)CCN1C1CCCC1.
What is the InChIKey of 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
The InChIKey is ZLASPHLTIFQSLB-INIZCTEOSA-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/t16-/m0/s1.
What are the key properties of 2-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol?
2-[(2S)-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-[(2S)-1-cyclopentyl-4-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 98770636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).