5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol

C16H17F2N3O — CID 128975512

IUPAC5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCc1cnc(N2CC(O)CC2c2ccc(F)c(F)c2)nc1C
InChIInChI=1S/C16H17F2N3O/c1-9-7-19-16(20-10(9)2)21-8-12(22)6-15(21)11-3-4-13(17)14(18)5-11/h3-5,7,12,15,22H,6,8H2,1-2H3
InChIKeyWVCSBKNNRBLYTQ-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.68
Rot. Bonds2

About 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol

5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol (PubChem CID 128975512) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
PubChem CID128975512
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol
SMILESCc1cnc(N2CC(O)CC2c2ccc(F)c(F)c2)nc1C
InChIInChI=1S/C16H17F2N3O/c1-9-7-19-16(20-10(9)2)21-8-12(22)6-15(21)11-3-4-13(17)14(18)5-11/h3-5,7,12,15,22H,6,8H2,1-2H3
InChIKeyWVCSBKNNRBLYTQ-UHFFFAOYSA-N
XLogP2.68
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol 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 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol (CID 128975512) is 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol is Cc1cnc(N2CC(O)CC2c2ccc(F)c(F)c2)nc1C.
What is the InChIKey of 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol?
The InChIKey is WVCSBKNNRBLYTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-9-7-19-16(20-10(9)2)21-8-12(22)6-15(21)11-3-4-13(17)14(18)5-11/h3-5,7,12,15,22H,6,8H2,1-2H3.
What are the key properties of 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol?
5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol has a molecular weight of 305.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-1-(4,5-dimethylpyrimidin-2-yl)pyrrolidin-3-ol is sourced from PubChem (CID 128975512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).