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

C11H17FN4O — CID 50962051

IUPAC2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncc(F)c(N2CCCC2)n1
InChIInChI=1S/C11H17FN4O/c1-15(6-7-17)11-13-8-9(12)10(14-11)16-4-2-3-5-16/h8,17H,2-7H2,1H3
InChIKeyRMRQAUSVKRHPIN-UHFFFAOYSA-N
MW240.28 g/mol
LogP0.64
Rot. Bonds4

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

2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol (PubChem CID 50962051) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol.

Molecular Properties

Compound Name2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
PubChem CID50962051
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol
SMILESCN(CCO)c1ncc(F)c(N2CCCC2)n1
InChIInChI=1S/C11H17FN4O/c1-15(6-7-17)11-13-8-9(12)10(14-11)16-4-2-3-5-16/h8,17H,2-7H2,1H3
InChIKeyRMRQAUSVKRHPIN-UHFFFAOYSA-N
XLogP0.64
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-Fluoro-2-(methylsulfanyl)-4-pyrimidinyl](2-hydroxyethyl)amino]ethanol
CID 685643
5-fluoro-N-methyl-2-(pyrrolidin-1-yl)pyrimidin-4-amine
CID 5302486
2-(5-Fluoropyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[3.4]octane
CID 97472501
2-Chloro-5-fluoro-4-(pyrrolidin-1-yl)pyrimidine
CID 16762742
5-fluoro-N,N-dimethyl-2-morpholin-4-ylpyrimidin-4-amine
CID 3147873
[1-(5-Fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 78085923
trans-4-Ethoxy-1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-ol
CID 91780076
(6S)-1-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-4-propyl-1,4-diazepan-6-ol
CID 99974120
(3S)-1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-5-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 133344810
2-(4-{1-[4-(Dimethylamino)-5-fluoropyrimidin-2-yl]piperidin-4-yl}piperazin-1-yl)ethanol
CID 134699624
2-[[(2R,3R)-1-[(2-tert-butylpyrimidin-5-yl)methyl]-2-methylpyrrolidin-3-yl]-methylamino]ethanol
CID 137988846
2-[(2S,6R)-4-(5-fluoropyrimidin-2-yl)-2,6-dimethylpiperazin-1-yl]ethanol
CID 137992414

Frequently Asked Questions

What is the IUPAC name of 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol?
The IUPAC name of 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol (CID 50962051) is 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol.
What is the SMILES notation for 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol?
The canonical SMILES for 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol is CN(CCO)c1ncc(F)c(N2CCCC2)n1.
What is the InChIKey of 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol?
The InChIKey is RMRQAUSVKRHPIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-15(6-7-17)11-13-8-9(12)10(14-11)16-4-2-3-5-16/h8,17H,2-7H2,1H3.
What are the key properties of 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol?
2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol has a molecular weight of 240.28 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-fluoro-4-pyrrolidin-1-ylpyrimidin-2-yl)-methylamino]ethanol is sourced from PubChem (CID 50962051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).