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

C7H8ClFN2O2 — CID 81113908

IUPAC5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCF)cc1Cl
InChIInChI=1S/C7H8ClFN2O2/c8-5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3H2,(H,10,12,13)
InChIKeyOGUAJSVUADCSOU-UHFFFAOYSA-N
MW206.60 g/mol
LogP0.55
Rot. Bonds3

About 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione

5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione (PubChem CID 81113908) has the molecular formula C7H8ClFN2O2 and a molecular weight of 206.60 g/mol. Its IUPAC name is 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione
PubChem CID81113908
Molecular FormulaC7H8ClFN2O2
Molecular Weight206.60 g/mol
Exact Mass206.03
IUPAC Name5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCF)cc1Cl
InChIInChI=1S/C7H8ClFN2O2/c8-5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3H2,(H,10,12,13)
InChIKeyOGUAJSVUADCSOU-UHFFFAOYSA-N
XLogP0.55
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.60
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione (CID 81113908) is 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCCF)cc1Cl.
What is the InChIKey of 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione?
The InChIKey is OGUAJSVUADCSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O2/c8-5-4-11(3-1-2-9)7(13)10-6(5)12/h4H,1-3H2,(H,10,12,13).
What are the key properties of 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione?
5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione has a molecular weight of 206.60 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(3-fluoropropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 81113908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).