1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione

C10H12N2O4 — CID 57332516

IUPAC1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@]23C[C@@H]2[C@@H](CO)CO3)c(=O)[nH]1
InChIInChI=1S/C10H12N2O4/c13-4-6-5-16-10(3-7(6)10)12-2-1-8(14)11-9(12)15/h1-2,6-7,13H,3-5H2,(H,11,14,15)/t6-,7+,10+/m0/s1
InChIKeyKUCWADNBTJVHBM-NYNCVSEMSA-N
MW224.22 g/mol
LogP-1.15
Rot. Bonds2

About 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione

1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione (PubChem CID 57332516) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione
PubChem CID57332516
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@]23C[C@@H]2[C@@H](CO)CO3)c(=O)[nH]1
InChIInChI=1S/C10H12N2O4/c13-4-6-5-16-10(3-7(6)10)12-2-1-8(14)11-9(12)15/h1-2,6-7,13H,3-5H2,(H,11,14,15)/t6-,7+,10+/m0/s1
InChIKeyKUCWADNBTJVHBM-NYNCVSEMSA-N
XLogP-1.15
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-phenyloxolan-2-yl]pyrimidine-2,4-dione
CID 67021878
1-[(4S,5R)-2-bromo-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174539753
1-[(2R,4S,5R)-2-ethyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 57017306
(2R,5S)-2-(2,4-dioxopyrimidin-1-yl)-4-hydroxy-5-(hydroxymethyl)oxolane-2-carbonitrile
CID 91138165
1-[(1R,3R,4R,5R)-4-hydroxy-3-(hydroxymethyl)-5-methyl-2,6-dioxabicyclo[3.2.0]heptan-1-yl]pyrimidine-2,4-dione
CID 122386656
diethyl 2-[(3R,5S)-5-(1,3-diethoxy-1,3-dioxopropan-2-yl)-5-(2,4-dioxopyrimidin-1-yl)oxolan-3-yl]propanedioate
CID 10505478
1-[(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-phenylsulfanyloxolan-2-yl]pyrimidine-2,4-dione
CID 67735428
1-[(2S,3R,4R,5R)-2,3-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 66682129
1-(2,4-dioxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
CID 82235160
1-[(2S,4S,5R)-2-[2-(2-chlorophenyl)acetyl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70535705
N,N-diethylethanamine;1-[(2S,4S,5R)-2-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 175888837
1-[(3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67732608

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione (CID 57332516) is 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione is O=c1ccn([C@@]23C[C@@H]2[C@@H](CO)CO3)c(=O)[nH]1.
What is the InChIKey of 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione?
The InChIKey is KUCWADNBTJVHBM-NYNCVSEMSA-N. The full InChI is InChI=1S/C10H12N2O4/c13-4-6-5-16-10(3-7(6)10)12-2-1-8(14)11-9(12)15/h1-2,6-7,13H,3-5H2,(H,11,14,15)/t6-,7+,10+/m0/s1.
What are the key properties of 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione?
1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione has a molecular weight of 224.22 g/mol, XLogP of -1.15, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,4S,5R)-4-(hydroxymethyl)-2-oxabicyclo[3.1.0]hexan-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 57332516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).