(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one

C14H19F2N3O2 — CID 141420571

IUPAC(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](OC(C)(C)C)C1CNC(=O)[C@H]1c1nc(F)ncc1F
InChIInChI=1S/C14H19F2N3O2/c1-7(21-14(2,3)4)8-5-17-12(20)10(8)11-9(15)6-18-13(16)19-11/h6-8,10H,5H2,1-4H3,(H,17,20)/t7-,8?,10-/m1/s1
InChIKeyFYEALTISEZICLU-HUWCLSLFSA-N
MW299.32 g/mol
LogP1.79
Rot. Bonds3

About (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one

(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one (PubChem CID 141420571) has the molecular formula C14H19F2N3O2 and a molecular weight of 299.32 g/mol. Its IUPAC name is (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one
PubChem CID141420571
Molecular FormulaC14H19F2N3O2
Molecular Weight299.32 g/mol
Exact Mass299.14
IUPAC Name(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one
SMILESC[C@@H](OC(C)(C)C)C1CNC(=O)[C@H]1c1nc(F)ncc1F
InChIInChI=1S/C14H19F2N3O2/c1-7(21-14(2,3)4)8-5-17-12(20)10(8)11-9(15)6-18-13(16)19-11/h6-8,10H,5H2,1-4H3,(H,17,20)/t7-,8?,10-/m1/s1
InChIKeyFYEALTISEZICLU-HUWCLSLFSA-N
XLogP1.79
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one 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 (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
The IUPAC name of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one (CID 141420571) is (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one.
What is the SMILES notation for (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
The canonical SMILES for (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one is C[C@@H](OC(C)(C)C)C1CNC(=O)[C@H]1c1nc(F)ncc1F.
What is the InChIKey of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
The InChIKey is FYEALTISEZICLU-HUWCLSLFSA-N. The full InChI is InChI=1S/C14H19F2N3O2/c1-7(21-14(2,3)4)8-5-17-12(20)10(8)11-9(15)6-18-13(16)19-11/h6-8,10H,5H2,1-4H3,(H,17,20)/t7-,8?,10-/m1/s1.
What are the key properties of (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one?
(3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one has a molecular weight of 299.32 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,5-difluoropyrimidin-4-yl)-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 141420571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).