(1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol

C17H19FN2O2 — CID 134945820

IUPAC(1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol
SMILESCOCC[C@H](c1ncccn1)[C@]1(O)CCc2cc(F)ccc21
InChIInChI=1S/C17H19FN2O2/c1-22-10-6-15(16-19-8-2-9-20-16)17(21)7-5-12-11-13(18)3-4-14(12)17/h2-4,8-9,11,15,21H,5-7,10H2,1H3/t15-,17+/m1/s1
InChIKeyHKYKUJGNZBJCKT-WBVHZDCISA-N
MW302.35 g/mol
LogP2.57
Rot. Bonds5

About (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol

(1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol (PubChem CID 134945820) has the molecular formula C17H19FN2O2 and a molecular weight of 302.35 g/mol. Its IUPAC name is (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol
PubChem CID134945820
Molecular FormulaC17H19FN2O2
Molecular Weight302.35 g/mol
Exact Mass302.14
IUPAC Name(1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol
SMILESCOCC[C@H](c1ncccn1)[C@]1(O)CCc2cc(F)ccc21
InChIInChI=1S/C17H19FN2O2/c1-22-10-6-15(16-19-8-2-9-20-16)17(21)7-5-12-11-13(18)3-4-14(12)17/h2-4,8-9,11,15,21H,5-7,10H2,1H3/t15-,17+/m1/s1
InChIKeyHKYKUJGNZBJCKT-WBVHZDCISA-N
XLogP2.57
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol?
The IUPAC name of (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol (CID 134945820) is (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol.
What is the SMILES notation for (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol?
The canonical SMILES for (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol is COCC[C@H](c1ncccn1)[C@]1(O)CCc2cc(F)ccc21.
What is the InChIKey of (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol?
The InChIKey is HKYKUJGNZBJCKT-WBVHZDCISA-N. The full InChI is InChI=1S/C17H19FN2O2/c1-22-10-6-15(16-19-8-2-9-20-16)17(21)7-5-12-11-13(18)3-4-14(12)17/h2-4,8-9,11,15,21H,5-7,10H2,1H3/t15-,17+/m1/s1.
What are the key properties of (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol?
(1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol has a molecular weight of 302.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-fluoro-1-[(1R)-3-methoxy-1-pyrimidin-2-ylpropyl]-2,3-dihydroinden-1-ol is sourced from PubChem (CID 134945820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).