1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione

C9H13N3O2 — CID 53232471

IUPAC1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C=C\CN)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-7-6-12(5-3-2-4-10)9(14)11-8(7)13/h2-3,6H,4-5,10H2,1H3,(H,11,13,14)/b3-2-
InChIKeyUHGZMGJXBCCLJB-IHWYPQMZSA-N
MW195.22 g/mol
LogP-0.64
Rot. Bonds3

About 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione

1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 53232471) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID53232471
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C/C=C\CN)c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O2/c1-7-6-12(5-3-2-4-10)9(14)11-8(7)13/h2-3,6H,4-5,10H2,1H3,(H,11,13,14)/b3-2-
InChIKeyUHGZMGJXBCCLJB-IHWYPQMZSA-N
XLogP-0.64
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[(Z)-4-aminobut-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-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione (CID 53232471) is 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione is Cc1cn(C/C=C\CN)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UHGZMGJXBCCLJB-IHWYPQMZSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-7-6-12(5-3-2-4-10)9(14)11-8(7)13/h2-3,6H,4-5,10H2,1H3,(H,11,13,14)/b3-2-.
What are the key properties of 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione?
1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-4-aminobut-2-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 53232471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).