5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione

C11H10ClN3O2 — CID 121223589

IUPAC5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2/c1-6-9(10(16)15-11(17)13-6)14-8-4-2-7(12)3-5-8/h2-5,14H,1H3,(H2,13,15,16,17)
InChIKeyWAEMDYIPAYGMOO-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.77
Rot. Bonds2

About 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione

5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 121223589) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID121223589
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1[nH]c(=O)[nH]c(=O)c1Nc1ccc(Cl)cc1
InChIInChI=1S/C11H10ClN3O2/c1-6-9(10(16)15-11(17)13-6)14-8-4-2-7(12)3-5-8/h2-5,14H,1H3,(H2,13,15,16,17)
InChIKeyWAEMDYIPAYGMOO-UHFFFAOYSA-N
XLogP1.77
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(4-chloroanilino)-6-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

Related Compounds

N-[6-(4-chloroanilino)-2,4-dioxo-1H-pyrimidin-5-yl]formamide
CID 16740155
4-(4-chlorophenoxy)-N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)butanamide
CID 110171525
N-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 45071779
N-(4-chlorophenyl)-2,6-dimethylaniline
CID 10977319
4-anilino-2-(4-chloroanilino)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 1380777
2,3,5,6-tetrachloro-N-(4-chlorophenyl)pyridin-4-amine
CID 91252830
4-(4-chloroanilino)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
CID 12046768
2-(4-chloroanilino)-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136740952
N-[2-amino-4-(4-chloroanilino)-6-oxo-1H-pyrimidin-5-yl]formamide
CID 135496583
N-[(E)-(4-chlorophenyl)methylideneamino]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 110526446
5-anilino-6-(hydroxymethyl)-1H-pyrimidine-2,4-dione
CID 172688062
N-(4-chlorophenyl)-2,6-dimethyl-4-oxo-1H-pyridine-3-carboxamide
CID 12664397

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione (CID 121223589) is 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione is Cc1[nH]c(=O)[nH]c(=O)c1Nc1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is WAEMDYIPAYGMOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c1-6-9(10(16)15-11(17)13-6)14-8-4-2-7(12)3-5-8/h2-5,14H,1H3,(H2,13,15,16,17).
What are the key properties of 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione?
5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 251.67 g/mol, XLogP of 1.77, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloroanilino)-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 121223589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).