1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol

C10H14FN3O — CID 103990084

IUPAC1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H14FN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyGQZLBUKYXFEYQH-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.82
Rot. Bonds2

About 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol

1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol (PubChem CID 103990084) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
PubChem CID103990084
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
SMILESCC(O)C1CCN(c2ncc(F)cn2)C1
InChIInChI=1S/C10H14FN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,7-8,15H,2-3,6H2,1H3
InChIKeyGQZLBUKYXFEYQH-UHFFFAOYSA-N
XLogP0.82
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]ethanol
CID 103826127
1-[1-(5-methylpyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627788
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanamine
CID 104606421
2-[4-(1-bromoethyl)piperidin-1-yl]-5-fluoropyrimidine
CID 106838724
(1R)-1-[1-(5-fluoro-2-pyridinyl)piperidin-4-yl]ethanol
CID 100670630
(1R)-1-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]ethanol
CID 66696107
1-(1-pyrimidin-2-ylpiperidin-3-yl)ethanol
CID 133397978
2-(3-chloropyrrolidin-1-yl)-5-fluoropyrimidine
CID 104606673
1-[1-(5-fluoro-6-methylpyrimidin-4-yl)pyrrolidin-3-yl]ethanol
CID 103990092
2-[(3R)-3-propan-2-ylpyrrolidin-1-yl]-5-prop-1-en-2-ylpyrimidine
CID 170387123
1-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627918

Frequently Asked Questions

What is the IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol (CID 103990084) is 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol is CC(O)C1CCN(c2ncc(F)cn2)C1.
What is the InChIKey of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is GQZLBUKYXFEYQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-7(15)8-2-3-14(6-8)10-12-4-9(11)5-13-10/h4-5,7-8,15H,2-3,6H2,1H3.
What are the key properties of 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol?
1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 211.24 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 103990084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).