1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

C9H12N2O5 — CID 10105161

IUPAC1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@@](O)(CO)CO2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O5/c12-4-9(15)3-7(16-5-9)11-2-1-6(13)10-8(11)14/h1-2,7,12,15H,3-5H2,(H,10,13,14)/t7-,9-/m1/s1
InChIKeyNITDOLMRFJWLQM-VXNVDRBHSA-N
MW228.20 g/mol
LogP-1.82
Rot. Bonds2

About 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione

1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 10105161) has the molecular formula C9H12N2O5 and a molecular weight of 228.20 g/mol. Its IUPAC name is 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
PubChem CID10105161
Molecular FormulaC9H12N2O5
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@@](O)(CO)CO2)c(=O)[nH]1
InChIInChI=1S/C9H12N2O5/c12-4-9(15)3-7(16-5-9)11-2-1-6(13)10-8(11)14/h1-2,7,12,15H,3-5H2,(H,10,13,14)/t7-,9-/m1/s1
InChIKeyNITDOLMRFJWLQM-VXNVDRBHSA-N
XLogP-1.82
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2R,4S)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70294441
1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18783254
1-[(1S,3R)-1-(hydroxymethyl)-2,6-dioxabicyclo[3.2.0]heptan-3-yl]pyrimidine-2,4-dione
CID 67875653
1-[5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 19775087
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidine-2,4-dione
CID 15172860
1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 509512
1-[(2R,4S,5R)-4-acetyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70457581
1-[(5R)-5-cyclopropyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 154937522
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[(2R,3R,5R)-5-fluoro-3-hydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 137381041
(2R,5R)-5-(2,4-dioxopyrimidin-1-yl)-2-(hydroxymethyl)oxolane-2-carbonitrile
CID 54125745

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione (CID 10105161) is 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2C[C@@](O)(CO)CO2)c(=O)[nH]1.
What is the InChIKey of 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is NITDOLMRFJWLQM-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H12N2O5/c12-4-9(15)3-7(16-5-9)11-2-1-6(13)10-8(11)14/h1-2,7,12,15H,3-5H2,(H,10,13,14)/t7-,9-/m1/s1.
What are the key properties of 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione?
1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 228.20 g/mol, XLogP of -1.82, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4R)-4-hydroxy-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 10105161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).