5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione

C9H14N2O5 — CID 69344214

IUPAC5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
SMILESCc1cn(CC(O)(O)C(C)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O5/c1-5-3-11(8(14)10-7(5)13)4-9(15,16)6(2)12/h3,6,12,15-16H,4H2,1-2H3,(H,10,13,14)
InChIKeyOUXMGHJUSALLHP-UHFFFAOYSA-N
MW230.22 g/mol
LogP-2.09
Rot. Bonds3

About 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione

5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione (PubChem CID 69344214) has the molecular formula C9H14N2O5 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
PubChem CID69344214
Molecular FormulaC9H14N2O5
Molecular Weight230.22 g/mol
Exact Mass230.09
IUPAC Name5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione
SMILESCc1cn(CC(O)(O)C(C)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H14N2O5/c1-5-3-11(8(14)10-7(5)13)4-9(15,16)6(2)12/h3,6,12,15-16H,4H2,1-2H3,(H,10,13,14)
InChIKeyOUXMGHJUSALLHP-UHFFFAOYSA-N
XLogP-2.09
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-2.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 5-methyl-1-(2,2,3-trihydroxybutyl)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-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione (CID 69344214) is 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione is Cc1cn(CC(O)(O)C(C)O)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
The InChIKey is OUXMGHJUSALLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O5/c1-5-3-11(8(14)10-7(5)13)4-9(15,16)6(2)12/h3,6,12,15-16H,4H2,1-2H3,(H,10,13,14).
What are the key properties of 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione?
5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione has a molecular weight of 230.22 g/mol, XLogP of -2.09, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2,2,3-trihydroxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 69344214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).