5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione

C10H12N2O4 — CID 67951281

IUPAC5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C#CCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-12-5-7(9(15)11-10(12)16)3-2-4-8(14)6-13/h5,8,13-14H,4,6H2,1H3,(H,11,15,16)
InChIKeyFRDJYRBXPHEZFY-UHFFFAOYSA-N
MW224.22 g/mol
LogP-1.83
Rot. Bonds2

About 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione

5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione (PubChem CID 67951281) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione
PubChem CID67951281
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione
SMILESCn1cc(C#CCC(O)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-12-5-7(9(15)11-10(12)16)3-2-4-8(14)6-13/h5,8,13-14H,4,6H2,1H3,(H,11,15,16)
InChIKeyFRDJYRBXPHEZFY-UHFFFAOYSA-N
XLogP-1.83
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-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-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione (CID 67951281) is 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione is Cn1cc(C#CCC(O)CO)c(=O)[nH]c1=O.
What is the InChIKey of 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione?
The InChIKey is FRDJYRBXPHEZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-12-5-7(9(15)11-10(12)16)3-2-4-8(14)6-13/h5,8,13-14H,4,6H2,1H3,(H,11,15,16).
What are the key properties of 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione?
5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione has a molecular weight of 224.22 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,5-dihydroxypent-1-ynyl)-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 67951281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).