1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione

C10H14N2O4 — CID 6474980

IUPAC1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C(=C/CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-7-4-12(10(16)11-9(7)15)5-8(6-14)2-3-13/h2,4,13-14H,3,5-6H2,1H3,(H,11,15,16)/b8-2-
InChIKeyJTXUOOIUNQSJOS-WAPJZHGLSA-N
MW226.23 g/mol
LogP-1.24
Rot. Bonds4

About 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione

1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 6474980) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID6474980
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C(=C/CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N2O4/c1-7-4-12(10(16)11-9(7)15)5-8(6-14)2-3-13/h2,4,13-14H,3,5-6H2,1H3,(H,11,15,16)/b8-2-
InChIKeyJTXUOOIUNQSJOS-WAPJZHGLSA-N
XLogP-1.24
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-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 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione (CID 6474980) is 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C/C(=C/CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is JTXUOOIUNQSJOS-WAPJZHGLSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-4-12(10(16)11-9(7)15)5-8(6-14)2-3-13/h2,4,13-14H,3,5-6H2,1H3,(H,11,15,16)/b8-2-.
What are the key properties of 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione?
1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -1.24, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-hydroxy-2-(hydroxymethyl)but-2-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 6474980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).