3-(5-fluoropyrimidin-2-yl)butanamide

C8H10FN3O — CID 68574134

IUPAC3-(5-fluoropyrimidin-2-yl)butanamide
SMILESCC(CC(N)=O)c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-5(2-7(10)13)8-11-3-6(9)4-12-8/h3-5H,2H2,1H3,(H2,10,13)
InChIKeyRCHHZFWTPAZJTP-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.59
Rot. Bonds3

About 3-(5-fluoropyrimidin-2-yl)butanamide

3-(5-fluoropyrimidin-2-yl)butanamide (PubChem CID 68574134) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 3-(5-fluoropyrimidin-2-yl)butanamide.

Molecular Properties

Compound Name3-(5-fluoropyrimidin-2-yl)butanamide
PubChem CID68574134
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name3-(5-fluoropyrimidin-2-yl)butanamide
SMILESCC(CC(N)=O)c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-5(2-7(10)13)8-11-3-6(9)4-12-8/h3-5H,2H2,1H3,(H2,10,13)
InChIKeyRCHHZFWTPAZJTP-UHFFFAOYSA-N
XLogP0.59
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-pyrimidin-2-ylbutanamide
CID 4380196
N-(1-(5-Fluoropyrimidin-2-yl)vinyl)acetamide
CID 45119272
(S)-N-(1-(5-Fluoropyrimidin-2-yl)ethyl)acetamide
CID 58367416
2-Pyrimidinepropanamide
CID 17984093
4-Amino-2-methyl-5-pyrimidineacetamide
CID 22217349
Pyrimidinylpropionamide
CID 67050253
(2S)-3-[(5-fluoropyrimidin-2-yl)-methylamino]-N,2-dimethylpropanamide
CID 164629261
3-(5-Fluoropyrimidin-2-yl)butanal
CID 21919367
2-Pyrimidinepropanal, 5-fluoro-
CID 21919370
N-[1-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 66624238
N-[2-(5-fluoropyrimidin-2-yl)ethenyl]acetamide
CID 67017111
N-[2-(5-fluoropyrimidin-2-yl)ethyl]acetamide
CID 67017174

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoropyrimidin-2-yl)butanamide?
The IUPAC name of 3-(5-fluoropyrimidin-2-yl)butanamide (CID 68574134) is 3-(5-fluoropyrimidin-2-yl)butanamide.
What is the SMILES notation for 3-(5-fluoropyrimidin-2-yl)butanamide?
The canonical SMILES for 3-(5-fluoropyrimidin-2-yl)butanamide is CC(CC(N)=O)c1ncc(F)cn1.
What is the InChIKey of 3-(5-fluoropyrimidin-2-yl)butanamide?
The InChIKey is RCHHZFWTPAZJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-5(2-7(10)13)8-11-3-6(9)4-12-8/h3-5H,2H2,1H3,(H2,10,13).
What are the key properties of 3-(5-fluoropyrimidin-2-yl)butanamide?
3-(5-fluoropyrimidin-2-yl)butanamide has a molecular weight of 183.19 g/mol, XLogP of 0.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoropyrimidin-2-yl)butanamide is sourced from PubChem (CID 68574134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).