5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione

C10H15N3O5 — CID 123890324

IUPAC5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1C(c2c[nH]c(=O)[nH]c2=O)NC(CO)C1O
InChIInChI=1S/C10H15N3O5/c1-18-8-6(12-5(3-14)7(8)15)4-2-11-10(17)13-9(4)16/h2,5-8,12,14-15H,3H2,1H3,(H2,11,13,16,17)
InChIKeyDIKIMKOHTGLIKU-UHFFFAOYSA-N
MW257.25 g/mol
LogP-2.56
Rot. Bonds3

About 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione

5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (PubChem CID 123890324) has the molecular formula C10H15N3O5 and a molecular weight of 257.25 g/mol. Its IUPAC name is 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
PubChem CID123890324
Molecular FormulaC10H15N3O5
Molecular Weight257.25 g/mol
Exact Mass257.10
IUPAC Name5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione
SMILESCOC1C(c2c[nH]c(=O)[nH]c2=O)NC(CO)C1O
InChIInChI=1S/C10H15N3O5/c1-18-8-6(12-5(3-14)7(8)15)4-2-11-10(17)13-9(4)16/h2,5-8,12,14-15H,3H2,1H3,(H2,11,13,16,17)
InChIKeyDIKIMKOHTGLIKU-UHFFFAOYSA-N
XLogP-2.56
TPSA127.44 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 5-2.56
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-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 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione (CID 123890324) is 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is COC1C(c2c[nH]c(=O)[nH]c2=O)NC(CO)C1O.
What is the InChIKey of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
The InChIKey is DIKIMKOHTGLIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O5/c1-18-8-6(12-5(3-14)7(8)15)4-2-11-10(17)13-9(4)16/h2,5-8,12,14-15H,3H2,1H3,(H2,11,13,16,17).
What are the key properties of 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione?
5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione has a molecular weight of 257.25 g/mol, XLogP of -2.56, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-hydroxy-5-(hydroxymethyl)-3-methoxypyrrolidin-2-yl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 123890324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).