1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione

C12H18N2O3 — CID 58159388

IUPAC1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCCC1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC
InChIInChI=1S/C12H18N2O3/c1-3-8-7-11(17-9(8)4-2)14-6-5-10(15)13-12(14)16/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,13,15,16)/t8?,9-,11-/m1/s1
InChIKeyVIVJDHSNXCAVQA-HOGWDWRMSA-N
MW238.29 g/mol
LogP1.26
Rot. Bonds3

About 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 58159388) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID58159388
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
SMILESCCC1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC
InChIInChI=1S/C12H18N2O3/c1-3-8-7-11(17-9(8)4-2)14-6-5-10(15)13-12(14)16/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,13,15,16)/t8?,9-,11-/m1/s1
InChIKeyVIVJDHSNXCAVQA-HOGWDWRMSA-N
XLogP1.26
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 14562102
1-[4,5-bis(methoxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 123691114
1-[(2R,5S)-4-amino-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 21120134
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
[5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-yl]methyl acetate
CID 123607288
[(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-ethyloxolan-3-yl] methyl hydrogen phosphate
CID 58319643
1-[(2R,4S,5S,6R)-4-amino-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 57113962
1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67928982
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-3-carbaldehyde
CID 3011752
1-[(4R,5S)-4-trimethylsilyloxy-5-(trimethylsilyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 6427735

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione (CID 58159388) is 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione is CCC1C[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1CC.
What is the InChIKey of 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is VIVJDHSNXCAVQA-HOGWDWRMSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-3-8-7-11(17-9(8)4-2)14-6-5-10(15)13-12(14)16/h5-6,8-9,11H,3-4,7H2,1-2H3,(H,13,15,16)/t8?,9-,11-/m1/s1.
What are the key properties of 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 238.29 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 58159388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).