1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione

C20H25FN2O5S — CID 58218233

IUPAC1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H25FN2O5S/c1-14(16-5-6-17(21)18(11-16)28-12-15-3-4-15)13-29(26,27)10-2-8-23-9-7-19(24)22-20(23)25/h5-7,9,11,14-15H,2-4,8,10,12-13H2,1H3,(H,22,24,25)/t14-/m0/s1
InChIKeyXYXULDBYIUZBSH-AWEZNQCLSA-N
MW424.49 g/mol
LogP2.07
Rot. Bonds10

About 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione

1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione (PubChem CID 58218233) has the molecular formula C20H25FN2O5S and a molecular weight of 424.49 g/mol. Its IUPAC name is 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione
PubChem CID58218233
Molecular FormulaC20H25FN2O5S
Molecular Weight424.49 g/mol
Exact Mass424.15
IUPAC Name1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione
SMILESC[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1
InChIInChI=1S/C20H25FN2O5S/c1-14(16-5-6-17(21)18(11-16)28-12-15-3-4-15)13-29(26,27)10-2-8-23-9-7-19(24)22-20(23)25/h5-7,9,11,14-15H,2-4,8,10,12-13H2,1H3,(H,22,24,25)/t14-/m0/s1
InChIKeyXYXULDBYIUZBSH-AWEZNQCLSA-N
XLogP2.07
TPSA98.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.49
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione (CID 58218233) is 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione is C[C@@H](CS(=O)(=O)CCCn1ccc(=O)[nH]c1=O)c1ccc(F)c(OCC2CC2)c1.
What is the InChIKey of 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione?
The InChIKey is XYXULDBYIUZBSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25FN2O5S/c1-14(16-5-6-17(21)18(11-16)28-12-15-3-4-15)13-29(26,27)10-2-8-23-9-7-19(24)22-20(23)25/h5-7,9,11,14-15H,2-4,8,10,12-13H2,1H3,(H,22,24,25)/t14-/m0/s1.
What are the key properties of 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione?
1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione has a molecular weight of 424.49 g/mol, XLogP of 2.07, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2R)-2-[3-(cyclopropylmethoxy)-4-fluorophenyl]propyl]sulfonylpropyl]pyrimidine-2,4-dione is sourced from PubChem (CID 58218233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).