5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione

C11H8Cl2N2O2 — CID 10378466

IUPAC5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c12-8-2-1-6(4-9(8)13)3-7-5-14-11(17)15-10(7)16/h1-2,4-5H,3H2,(H2,14,15,16,17)
InChIKeyTVQFEHRWHVIMSS-UHFFFAOYSA-N
MW271.10 g/mol
LogP1.96
Rot. Bonds2

About 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione

5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10378466) has the molecular formula C11H8Cl2N2O2 and a molecular weight of 271.10 g/mol. Its IUPAC name is 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10378466
Molecular FormulaC11H8Cl2N2O2
Molecular Weight271.10 g/mol
Exact Mass270.00
IUPAC Name5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]1
InChIInChI=1S/C11H8Cl2N2O2/c12-8-2-1-6(4-9(8)13)3-7-5-14-11(17)15-10(7)16/h1-2,4-5H,3H2,(H2,14,15,16,17)
InChIKeyTVQFEHRWHVIMSS-UHFFFAOYSA-N
XLogP1.96
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.10
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(3,4-dichlorophenyl)methyl]-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 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione (CID 10378466) is 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione is O=c1[nH]cc(Cc2ccc(Cl)c(Cl)c2)c(=O)[nH]1.
What is the InChIKey of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is TVQFEHRWHVIMSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N2O2/c12-8-2-1-6(4-9(8)13)3-7-5-14-11(17)15-10(7)16/h1-2,4-5H,3H2,(H2,14,15,16,17).
What are the key properties of 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 271.10 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3,4-dichlorophenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10378466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).