3-(5-fluoropyrimidin-4-yl)butan-2-ol

C8H11FN2O — CID 55274436

IUPAC3-(5-fluoropyrimidin-4-yl)butan-2-ol
SMILESCC(O)C(C)c1ncncc1F
InChIInChI=1S/C8H11FN2O/c1-5(6(2)12)8-7(9)3-10-4-11-8/h3-6,12H,1-2H3
InChIKeyWADNCTPAGJLTDQ-UHFFFAOYSA-N
MW170.19 g/mol
LogP1.10
Rot. Bonds2

About 3-(5-fluoropyrimidin-4-yl)butan-2-ol

3-(5-fluoropyrimidin-4-yl)butan-2-ol (PubChem CID 55274436) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-4-yl)butan-2-ol.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-4-yl)butan-2-ol
PubChem CID55274436
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name3-(5-fluoropyrimidin-4-yl)butan-2-ol
SMILESCC(O)C(C)c1ncncc1F
InChIInChI=1S/C8H11FN2O/c1-5(6(2)12)8-7(9)3-10-4-11-8/h3-6,12H,1-2H3
InChIKeyWADNCTPAGJLTDQ-UHFFFAOYSA-N
XLogP1.10
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(2S)-1,1,1-trifluoro-3-pyrimidin-4-ylpropan-2-ol
CID 102146121
5-(1-Hydroxy-2-methylpropyl)-4-trifluoromethylpyrimidine
CID 22648768
5-Fluoro-2-methoxy-4-propan-2-ylpyrimidine
CID 59589127
2-(5-Fluoropyrimidin-4-yl)ethanol
CID 67073610
2-(2-Chloro-5-fluoropyrimidin-4-yl)ethanol
CID 87259288
1-(5-Fluoro-4-propan-2-ylpyrimidin-2-yl)pyrrolidin-3-ol
CID 118424351
(3S,4S)-3-(6-amino-5-fluoropyrimidin-4-yl)piperidin-4-ol
CID 121360873
1-(5-Fluoropyrimidin-4-yl)-4-(1,2,4-triazol-1-yl)butan-2-ol
CID 123997736
2-Chloro-5-fluoro-4-(6-fluoro-6-methoxycyclohexa-2,4-dien-1-yl)pyrimidine
CID 135283322

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-4-yl)butan-2-ol?
The IUPAC name of 3-(5-fluoropyrimidin-4-yl)butan-2-ol (CID 55274436) is 3-(5-fluoropyrimidin-4-yl)butan-2-ol.
What is the SMILES notation for 3-(5-fluoropyrimidin-4-yl)butan-2-ol?
The canonical SMILES for 3-(5-fluoropyrimidin-4-yl)butan-2-ol is CC(O)C(C)c1ncncc1F.
What is the InChIKey of 3-(5-fluoropyrimidin-4-yl)butan-2-ol?
The InChIKey is WADNCTPAGJLTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-5(6(2)12)8-7(9)3-10-4-11-8/h3-6,12H,1-2H3.
What are the key properties of 3-(5-fluoropyrimidin-4-yl)butan-2-ol?
3-(5-fluoropyrimidin-4-yl)butan-2-ol has a molecular weight of 170.19 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-4-yl)butan-2-ol is sourced from PubChem (CID 55274436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).