1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

C10H14N2O4 — CID 14562102

IUPAC1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C10H14N2O4/c1-2-7-6(13)5-9(16-7)12-4-3-8(14)11-10(12)15/h3-4,6-7,9,13H,2,5H2,1H3,(H,11,14,15)/t6-,7+,9+/m0/s1
InChIKeyXDPPKLLCULPQNO-LKEWCRSYSA-N
MW226.23 g/mol
LogP-0.41
Rot. Bonds2

About 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 14562102) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
PubChem CID14562102
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
SMILESCC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O
InChIInChI=1S/C10H14N2O4/c1-2-7-6(13)5-9(16-7)12-4-3-8(14)11-10(12)15/h3-4,6-7,9,13H,2,5H2,1H3,(H,11,14,15)/t6-,7+,9+/m0/s1
InChIKeyXDPPKLLCULPQNO-LKEWCRSYSA-N
XLogP-0.41
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[(2R,5R)-4,5-diethyloxolan-2-yl]pyrimidine-2,4-dione
CID 58159388
1-[(2R,4S,5R)-5-(ethoxymethyl)-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione
CID 22837617
1-[(2R,4S,5S)-4-hydroxy-5-(tributylstannylmethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 11071143
1-[(2R,4S,5R)-4-hydroxy-5-(sulfanyloxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18396706
[(2R,5S)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methylphosphonic acid
CID 123287690
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
[(2S,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methaneseleninic acid
CID 102520130
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]acetamide
CID 15956670
1-[(2R,4R,5R)-4-hydroxy-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 70953347
N-[[(2R,3S,5R)-5-(2,4-dioxopyrimidin-1-yl)-3-hydroxyoxolan-2-yl]methyl]formamide
CID 14842983
1-[(2R,5R)-5-ethyl-4-hydroxyoxolan-2-yl]-3-methylpyrimidine-2,4-dione
CID 174181276

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione (CID 14562102) is 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is CC[C@H]1O[C@@H](n2ccc(=O)[nH]c2=O)C[C@@H]1O.
What is the InChIKey of 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is XDPPKLLCULPQNO-LKEWCRSYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-2-7-6(13)5-9(16-7)12-4-3-8(14)11-10(12)15/h3-4,6-7,9,13H,2,5H2,1H3,(H,11,14,15)/t6-,7+,9+/m0/s1.
What are the key properties of 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S,5R)-5-ethyl-4-hydroxyoxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 14562102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).