5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione

C11H12N2O2 — CID 143887401

IUPAC5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC=C/C=C\c1c(/C=C\C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H,1H2,2H3,(H2,12,13,14,15)/b6-4-,7-5-
InChIKeyUBSMBYXRRRNFRB-PEPZGXQESA-N
MW204.23 g/mol
LogP1.30
Rot. Bonds3

About 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione

5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione (PubChem CID 143887401) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
PubChem CID143887401
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione
SMILESC=C/C=C\c1c(/C=C\C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C11H12N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H,1H2,2H3,(H2,12,13,14,15)/b6-4-,7-5-
InChIKeyUBSMBYXRRRNFRB-PEPZGXQESA-N
XLogP1.30
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-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

Related Compounds

Uracil, 5-allyl-6-methyl-
CID 824910
6-Ethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 246001
5-[(1E)-but-1-en-1-yl]-6-chloro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648525
6-chloro-5-[(1E)-pent-1-en-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648526
Uracil, 5-ethyl-6-methyl-
CID 202538
6-Tert-butylpyrimidine-2,4-diol
CID 817312
6-chloro-5-[(1E)-prop-1-en-1-yl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 23648524
Uracil, 5-allyl-3,6-dimethyl-
CID 3021699
6-methyl-5-[(1E)-3-oxobut-1-en-1-yl]uracil
CID 145946112
(E)-N,N-dimethyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)prop-2-enamide
CID 919528
6-Ethyl-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 14842377
6-Allylpyrimidine-2,4(1H,3H)-dione
CID 70629140

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione (CID 143887401) is 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione is C=C/C=C\c1c(/C=C\C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
The InChIKey is UBSMBYXRRRNFRB-PEPZGXQESA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-5-7-8-9(6-4-2)12-11(15)13-10(8)14/h3-7H,1H2,2H3,(H2,12,13,14,15)/b6-4-,7-5-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione?
5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione has a molecular weight of 204.23 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-6-[(Z)-prop-1-enyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 143887401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).