6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione

C9H11ClN2O2 — CID 23648526

IUPAC6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione
SMILESCCC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h4-5H,2-3H2,1H3,(H2,11,12,13,14)/b5-4+
InChIKeyFZCKCDUWPFRLEF-SNAWJCMRSA-N
MW214.65 g/mol
LogP1.53
Rot. Bonds3

About 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione

6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione (PubChem CID 23648526) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione
PubChem CID23648526
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione
SMILESCCC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H11ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h4-5H,2-3H2,1H3,(H2,11,12,13,14)/b5-4+
InChIKeyFZCKCDUWPFRLEF-SNAWJCMRSA-N
XLogP1.53
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-5-[(E)-pent-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

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione (CID 23648526) is 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione is CCC/C=C/c1c(Cl)[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione?
The InChIKey is FZCKCDUWPFRLEF-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-2-3-4-5-6-7(10)11-9(14)12-8(6)13/h4-5H,2-3H2,1H3,(H2,11,12,13,14)/b5-4+.
What are the key properties of 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione?
6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione has a molecular weight of 214.65 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-[(E)-pent-1-enyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 23648526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).