1-(3-fluoropropyl)pyrimidine-2,4-dione

C7H9FN2O2 — CID 81113442

IUPAC1-(3-fluoropropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCF)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12)
InChIKeyHBNIRNUTYBMBTL-UHFFFAOYSA-N
MW172.16 g/mol
LogP-0.10
Rot. Bonds3

About 1-(3-fluoropropyl)pyrimidine-2,4-dione

1-(3-fluoropropyl)pyrimidine-2,4-dione (PubChem CID 81113442) has the molecular formula C7H9FN2O2 and a molecular weight of 172.16 g/mol. Its IUPAC name is 1-(3-fluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoropropyl)pyrimidine-2,4-dione
PubChem CID81113442
Molecular FormulaC7H9FN2O2
Molecular Weight172.16 g/mol
Exact Mass172.06
IUPAC Name1-(3-fluoropropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CCCF)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12)
InChIKeyHBNIRNUTYBMBTL-UHFFFAOYSA-N
XLogP-0.10
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.16
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-fluoropropyl)pyrimidine-2,4-dione (CID 81113442) is 1-(3-fluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-fluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-fluoropropyl)pyrimidine-2,4-dione is O=c1ccn(CCCF)c(=O)[nH]1.
What is the InChIKey of 1-(3-fluoropropyl)pyrimidine-2,4-dione?
The InChIKey is HBNIRNUTYBMBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O2/c8-3-1-4-10-5-2-6(11)9-7(10)12/h2,5H,1,3-4H2,(H,9,11,12).
What are the key properties of 1-(3-fluoropropyl)pyrimidine-2,4-dione?
1-(3-fluoropropyl)pyrimidine-2,4-dione has a molecular weight of 172.16 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 81113442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).