6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione

C12H12ClN3O2 — CID 777117

IUPAC6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H12ClN3O2/c1-15-10(7-11(17)16(2)12(15)18)14-9-5-3-8(13)4-6-9/h3-7,14H,1-2H3
InChIKeyWUZVNXGMMVIICA-UHFFFAOYSA-N
MW265.70 g/mol
LogP1.48
Rot. Bonds2

About 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione

6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 777117) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID777117
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(Nc2ccc(Cl)cc2)cc(=O)n(C)c1=O
InChIInChI=1S/C12H12ClN3O2/c1-15-10(7-11(17)16(2)12(15)18)14-9-5-3-8(13)4-6-9/h3-7,14H,1-2H3
InChIKeyWUZVNXGMMVIICA-UHFFFAOYSA-N
XLogP1.48
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Diuron
CID 3120
Monuron
CID 8800
Monolinuron
CID 15629
Monomethylmonuron
CID 79309
Monuron TCA
CID 8799
Buturon
CID 19587
N'-(3-Chlorophenyl)-N,N-dimethylurea
CID 11480
4,4'-Dichlorocarbanilide
CID 94996
N-(4-chlorophenyl)morpholine-4-carboxamide
CID 759971
1-(4-Chlorophenyl)-3-cyclohexylurea
CID 238899
3-(3-Chlorophenyl)-1-ethyl-1-phenylurea
CID 294985
1-Pyrrolidinecarboxamide, N-(4-chlorophenyl)-
CID 118853

Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione (CID 777117) is 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(Nc2ccc(Cl)cc2)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is WUZVNXGMMVIICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-15-10(7-11(17)16(2)12(15)18)14-9-5-3-8(13)4-6-9/h3-7,14H,1-2H3.
What are the key properties of 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione?
6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.70 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroanilino)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 777117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).