[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone

C17H14N2O3 — CID 175804454

IUPAC[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone
SMILESC[C@@](O)(c1ccccc1)c1coc(C(=O)c2cncnc2)c1
InChIInChI=1S/C17H14N2O3/c1-17(21,13-5-3-2-4-6-13)14-7-15(22-10-14)16(20)12-8-18-11-19-9-12/h2-11,21H,1H3/t17-/m1/s1
InChIKeyUWGCPCHUIIHGIJ-QGZVFWFLSA-N
MW294.31 g/mol
LogP2.56
Rot. Bonds4

About [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone

[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone (PubChem CID 175804454) has the molecular formula C17H14N2O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone.

Molecular Properties

Compound Name[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone
PubChem CID175804454
Molecular FormulaC17H14N2O3
Molecular Weight294.31 g/mol
Exact Mass294.10
IUPAC Name[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone
SMILESC[C@@](O)(c1ccccc1)c1coc(C(=O)c2cncnc2)c1
InChIInChI=1S/C17H14N2O3/c1-17(21,13-5-3-2-4-6-13)14-7-15(22-10-14)16(20)12-8-18-11-19-9-12/h2-11,21H,1H3/t17-/m1/s1
InChIKeyUWGCPCHUIIHGIJ-QGZVFWFLSA-N
XLogP2.56
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone?
The IUPAC name of [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone (CID 175804454) is [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone.
What is the SMILES notation for [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone?
The canonical SMILES for [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone is C[C@@](O)(c1ccccc1)c1coc(C(=O)c2cncnc2)c1.
What is the InChIKey of [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone?
The InChIKey is UWGCPCHUIIHGIJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H14N2O3/c1-17(21,13-5-3-2-4-6-13)14-7-15(22-10-14)16(20)12-8-18-11-19-9-12/h2-11,21H,1H3/t17-/m1/s1.
What are the key properties of [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone?
[4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone has a molecular weight of 294.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1R)-1-hydroxy-1-phenylethyl]furan-2-yl]-pyrimidin-5-ylmethanone is sourced from PubChem (CID 175804454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).