6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C13H13ClFN3O2 — CID 60705584

IUPAC6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNc2ccc(Cl)cc2F)cc(=O)n(C)c1=O
InChIInChI=1S/C13H13ClFN3O2/c1-17-9(6-12(19)18(2)13(17)20)7-16-11-4-3-8(14)5-10(11)15/h3-6,16H,7H2,1-2H3
InChIKeyYIBJZANOQVDRGS-UHFFFAOYSA-N
MW297.72 g/mol
LogP1.49
Rot. Bonds3

About 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 60705584) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID60705584
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CNc2ccc(Cl)cc2F)cc(=O)n(C)c1=O
InChIInChI=1S/C13H13ClFN3O2/c1-17-9(6-12(19)18(2)13(17)20)7-16-11-4-3-8(14)5-10(11)15/h3-6,16H,7H2,1-2H3
InChIKeyYIBJZANOQVDRGS-UHFFFAOYSA-N
XLogP1.49
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-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

2,4-Imidazolidinedione, 3-(4-chlorophenyl)-
CID 723871
3-(4-chlorophenyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
CID 3454747
1-(4-Chlorophenyl)-3-(2-piperidin-1-ylethyl)urea
CID 4189678
2-Imidazolidinone, 1-(p-chlorophenyl)-
CID 26451
ST50544519
CID 302981
6-(4-(3,4-dichlorophenyl)piperazine-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 72894274
6-(4-Chloro-phenylamino)-1H-pyrimidine-2,4-dione
CID 308646
6-(4-Chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
CID 777117
4-amino-N-(3-chlorophenyl)-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxamide
CID 4792068
Cambridge id 5356508
CID 761462
1-(4-Chlorophenyl)-3-(1-propionylpiperidin-4-yl)urea
CID 49783215
4-Amino-1-(4-chlorophenyl)pyridin-2-one
CID 664356

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 60705584) is 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CNc2ccc(Cl)cc2F)cc(=O)n(C)c1=O.
What is the InChIKey of 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is YIBJZANOQVDRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-17-9(6-12(19)18(2)13(17)20)7-16-11-4-3-8(14)5-10(11)15/h3-6,16H,7H2,1-2H3.
What are the key properties of 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 297.72 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 60705584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).