1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione

C17H20N2O6 — CID 10760120

IUPAC1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione
SMILESCC(c1ccccc1)n1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O
InChIInChI=1S/C17H20N2O6/c1-10(11-5-3-2-4-6-11)19-13(21)7-8-18(17(19)24)16-15(23)14(22)12(9-20)25-16/h2-8,10,12,14-16,20,22-23H,9H2,1H3/t10?,12-,14-,15+,16-/m1/s1
InChIKeyBBDQKGPLANMMLR-ZKQHRACUSA-N
MW348.36 g/mol
LogP-0.77
Rot. Bonds4

About 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione

1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione (PubChem CID 10760120) has the molecular formula C17H20N2O6 and a molecular weight of 348.36 g/mol. Its IUPAC name is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione
PubChem CID10760120
Molecular FormulaC17H20N2O6
Molecular Weight348.36 g/mol
Exact Mass348.13
IUPAC Name1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione
SMILESCC(c1ccccc1)n1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O
InChIInChI=1S/C17H20N2O6/c1-10(11-5-3-2-4-6-11)19-13(21)7-8-18(17(19)24)16-15(23)14(22)12(9-20)25-16/h2-8,10,12,14-16,20,22-23H,9H2,1H3/t10?,12-,14-,15+,16-/m1/s1
InChIKeyBBDQKGPLANMMLR-ZKQHRACUSA-N
XLogP-0.77
TPSA113.92 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-benzyl-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46875386
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-sulfanylpyrimidine-2,4-dione
CID 150353444
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(2-phenylethyl)pyrimidine-2,4-dione
CID 154007050
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 10337796
1-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(phenylmethoxymethyl)pyrimidine-2,4-dione
CID 59243561
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[[(E)-prop-1-enyl]amino]pyrimidine-2,4-dione
CID 141369923
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(5-phenylfuran-2-yl)methyl]pyrimidine-2,4-dione
CID 134383848
3-[2-(2-chlorophenyl)ethyl]-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 149438020
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 46875385
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-phenyl-2-pyridinyl)methyl]pyrimidine-2,4-dione
CID 142312351
3-[(4-chlorophenyl)methyl]-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46875366
5-benzhydryl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 18394989

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione (CID 10760120) is 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione is CC(c1ccccc1)n1c(=O)ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@@H]2O)c1=O.
What is the InChIKey of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione?
The InChIKey is BBDQKGPLANMMLR-ZKQHRACUSA-N. The full InChI is InChI=1S/C17H20N2O6/c1-10(11-5-3-2-4-6-11)19-13(21)7-8-18(17(19)24)16-15(23)14(22)12(9-20)25-16/h2-8,10,12,14-16,20,22-23H,9H2,1H3/t10?,12-,14-,15+,16-/m1/s1.
What are the key properties of 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione?
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione has a molecular weight of 348.36 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-(1-phenylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10760120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).