6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione

C11H13ClFN3O2 — CID 113404568

IUPAC6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1C1CCN(C2CC2)C1
InChIInChI=1S/C11H13ClFN3O2/c12-9-8(13)10(17)16(11(18)14-9)7-3-4-15(5-7)6-1-2-6/h6-7H,1-5H2,(H,14,18)
InChIKeyRSVROJQVVDAZIW-UHFFFAOYSA-N
MW273.69 g/mol
LogP0.74
Rot. Bonds2

About 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione

6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 113404568) has the molecular formula C11H13ClFN3O2 and a molecular weight of 273.69 g/mol. Its IUPAC name is 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione
PubChem CID113404568
Molecular FormulaC11H13ClFN3O2
Molecular Weight273.69 g/mol
Exact Mass273.07
IUPAC Name6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]c(Cl)c(F)c(=O)n1C1CCN(C2CC2)C1
InChIInChI=1S/C11H13ClFN3O2/c12-9-8(13)10(17)16(11(18)14-9)7-3-4-15(5-7)6-1-2-6/h6-7H,1-5H2,(H,14,18)
InChIKeyRSVROJQVVDAZIW-UHFFFAOYSA-N
XLogP0.74
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione (CID 113404568) is 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione is O=c1[nH]c(Cl)c(F)c(=O)n1C1CCN(C2CC2)C1.
What is the InChIKey of 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is RSVROJQVVDAZIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN3O2/c12-9-8(13)10(17)16(11(18)14-9)7-3-4-15(5-7)6-1-2-6/h6-7H,1-5H2,(H,14,18).
What are the key properties of 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione?
6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 273.69 g/mol, XLogP of 0.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1-cyclopropylpyrrolidin-3-yl)-5-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 113404568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).