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

C8H10FN3O — CID 67017179

IUPAC2-(5-fluoropyrimidin-2-yl)butanamide
SMILESCCC(C(N)=O)c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-2-6(7(10)13)8-11-3-5(9)4-12-8/h3-4,6H,2H2,1H3,(H2,10,13)
InChIKeyFMLRVCDVALQIDP-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.59
Rot. Bonds3

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

2-(5-fluoropyrimidin-2-yl)butanamide (PubChem CID 67017179) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 2-(5-fluoropyrimidin-2-yl)butanamide.

Molecular Properties

Compound Name2-(5-fluoropyrimidin-2-yl)butanamide
PubChem CID67017179
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name2-(5-fluoropyrimidin-2-yl)butanamide
SMILESCCC(C(N)=O)c1ncc(F)cn1
InChIInChI=1S/C8H10FN3O/c1-2-6(7(10)13)8-11-3-5(9)4-12-8/h3-4,6H,2H2,1H3,(H2,10,13)
InChIKeyFMLRVCDVALQIDP-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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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoropyrimidin-2-yl)butanamide?
The IUPAC name of 2-(5-fluoropyrimidin-2-yl)butanamide (CID 67017179) is 2-(5-fluoropyrimidin-2-yl)butanamide.
What is the SMILES notation for 2-(5-fluoropyrimidin-2-yl)butanamide?
The canonical SMILES for 2-(5-fluoropyrimidin-2-yl)butanamide is CCC(C(N)=O)c1ncc(F)cn1.
What is the InChIKey of 2-(5-fluoropyrimidin-2-yl)butanamide?
The InChIKey is FMLRVCDVALQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c1-2-6(7(10)13)8-11-3-5(9)4-12-8/h3-4,6H,2H2,1H3,(H2,10,13).
What are the key properties of 2-(5-fluoropyrimidin-2-yl)butanamide?
2-(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 2-(5-fluoropyrimidin-2-yl)butanamide is sourced from PubChem (CID 67017179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).