6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

C10H15N3O4 — CID 10847677

IUPAC6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2C[C@H](CO)[C@@H](O)C2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c14-5-6-2-13(4-8(6)15)3-7-1-9(16)12-10(17)11-7/h1,6,8,14-15H,2-5H2,(H2,11,12,16,17)/t6-,8+/m1/s1
InChIKeyUTKVOQPEVVCRTC-SVRRBLITSA-N
MW241.25 g/mol
LogP-2.15
Rot. Bonds3

About 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione

6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10847677) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID10847677
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(CN2C[C@H](CO)[C@@H](O)C2)[nH]c(=O)[nH]1
InChIInChI=1S/C10H15N3O4/c14-5-6-2-13(4-8(6)15)3-7-1-9(16)12-10(17)11-7/h1,6,8,14-15H,2-5H2,(H2,11,12,16,17)/t6-,8+/m1/s1
InChIKeyUTKVOQPEVVCRTC-SVRRBLITSA-N
XLogP-2.15
TPSA109.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-2.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-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

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione (CID 10847677) is 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is O=c1cc(CN2C[C@H](CO)[C@@H](O)C2)[nH]c(=O)[nH]1.
What is the InChIKey of 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UTKVOQPEVVCRTC-SVRRBLITSA-N. The full InChI is InChI=1S/C10H15N3O4/c14-5-6-2-13(4-8(6)15)3-7-1-9(16)12-10(17)11-7/h1,6,8,14-15H,2-5H2,(H2,11,12,16,17)/t6-,8+/m1/s1.
What are the key properties of 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione?
6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of -2.15, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10847677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).