1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione

C7H9FN2O3 — CID 10330097

IUPAC1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)CF)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O3/c8-3-5(11)4-10-2-1-6(12)9-7(10)13/h1-2,5,11H,3-4H2,(H,9,12,13)
InChIKeyKUEMWWLJTMJCET-UHFFFAOYSA-N
MW188.16 g/mol
LogP-1.13
Rot. Bonds3

About 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione

1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione (PubChem CID 10330097) has the molecular formula C7H9FN2O3 and a molecular weight of 188.16 g/mol. Its IUPAC name is 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione
PubChem CID10330097
Molecular FormulaC7H9FN2O3
Molecular Weight188.16 g/mol
Exact Mass188.06
IUPAC Name1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione
SMILESO=c1ccn(CC(O)CF)c(=O)[nH]1
InChIInChI=1S/C7H9FN2O3/c8-3-5(11)4-10-2-1-6(12)9-7(10)13/h1-2,5,11H,3-4H2,(H,9,12,13)
InChIKeyKUEMWWLJTMJCET-UHFFFAOYSA-N
XLogP-1.13
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.16
LogP ≤ 5-1.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione (CID 10330097) is 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione is O=c1ccn(CC(O)CF)c(=O)[nH]1.
What is the InChIKey of 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
The InChIKey is KUEMWWLJTMJCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3/c8-3-5(11)4-10-2-1-6(12)9-7(10)13/h1-2,5,11H,3-4H2,(H,9,12,13).
What are the key properties of 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione?
1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione has a molecular weight of 188.16 g/mol, XLogP of -1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-2-hydroxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10330097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).