5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol

C17H19F2N3O — CID 133461946

IUPAC5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCc1cc(N2CC(O)CC2c2cc(F)ccc2F)nc(C)n1
InChIInChI=1S/C17H19F2N3O/c1-3-12-7-17(21-10(2)20-12)22-9-13(23)8-16(22)14-6-11(18)4-5-15(14)19/h4-7,13,16,23H,3,8-9H2,1-2H3
InChIKeyMVTXZXXDFNAQGV-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.94
Rot. Bonds3

About 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol

5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 133461946) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID133461946
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCCc1cc(N2CC(O)CC2c2cc(F)ccc2F)nc(C)n1
InChIInChI=1S/C17H19F2N3O/c1-3-12-7-17(21-10(2)20-12)22-9-13(23)8-16(22)14-6-11(18)4-5-15(14)19/h4-7,13,16,23H,3,8-9H2,1-2H3
InChIKeyMVTXZXXDFNAQGV-UHFFFAOYSA-N
XLogP2.94
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol (CID 133461946) is 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol is CCc1cc(N2CC(O)CC2c2cc(F)ccc2F)nc(C)n1.
What is the InChIKey of 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is MVTXZXXDFNAQGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-3-12-7-17(21-10(2)20-12)22-9-13(23)8-16(22)14-6-11(18)4-5-15(14)19/h4-7,13,16,23H,3,8-9H2,1-2H3.
What are the key properties of 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol?
5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 319.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 133461946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).