2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one

C13H14FN3O — CID 135567364

IUPAC2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccccc2F)n1
InChIInChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18)
InChIKeyPKDFHRREPYQILX-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.61
Rot. Bonds4

About 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one

2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one (PubChem CID 135567364) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one
PubChem CID135567364
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one
SMILESCCCc1cc(=O)[nH]c(Nc2ccccc2F)n1
InChIInChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18)
InChIKeyPKDFHRREPYQILX-UHFFFAOYSA-N
XLogP2.61
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one (CID 135567364) is 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one is CCCc1cc(=O)[nH]c(Nc2ccccc2F)n1.
What is the InChIKey of 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one?
The InChIKey is PKDFHRREPYQILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-2-5-9-8-12(18)17-13(15-9)16-11-7-4-3-6-10(11)14/h3-4,6-8H,2,5H2,1H3,(H2,15,16,17,18).
What are the key properties of 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one?
2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one has a molecular weight of 247.27 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-4-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135567364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).