6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione

C12H12ClN3O2 — CID 121013141

IUPAC6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(-c2cc(Cl)ccc2N)cc(=O)n(C)c1=O
InChIInChI=1S/C12H12ClN3O2/c1-15-10(6-11(17)16(2)12(15)18)8-5-7(13)3-4-9(8)14/h3-6H,14H2,1-2H3
InChIKeyTWEFZVZUXPWXCC-UHFFFAOYSA-N
MW265.70 g/mol
LogP0.99
Rot. Bonds1

About 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione

6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 121013141) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID121013141
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC Name6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(-c2cc(Cl)ccc2N)cc(=O)n(C)c1=O
InChIInChI=1S/C12H12ClN3O2/c1-15-10(6-11(17)16(2)12(15)18)8-5-7(13)3-4-9(8)14/h3-6H,14H2,1-2H3
InChIKeyTWEFZVZUXPWXCC-UHFFFAOYSA-N
XLogP0.99
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-(2,4-dimethylphenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 15326624
4-amino-6-(4-chlorophenyl)-1-methylpyridin-2-one
CID 105495523
6-amino-1,3-dimethylpyrimidine-2,4-dione;ethane
CID 143481182
5-chloro-1,3-dimethylbenzimidazol-2-one;ethane
CID 144584589
6-(4-fluorophenyl)-1,3-dimethylpyrimidine-2,4-dione
CID 10059913
6-[(4-chloro-2-fluoroanilino)methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 60705584
6-[[(4-chlorophenyl)methylamino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 43233503
4-chloro-2-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 62693888
4-chloro-2-(2,4-dichlorophenyl)aniline
CID 81274576
5-(2-amino-5-chlorophenyl)-3H-1,3,4-oxadiazol-2-one
CID 13167828
4-chloro-2-(3-fluoro-4-methylphenyl)aniline
CID 115502446
4-chloro-2-(2,3,5,6-tetrachlorophenyl)aniline
CID 81275413

Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione (CID 121013141) is 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(-c2cc(Cl)ccc2N)cc(=O)n(C)c1=O.
What is the InChIKey of 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is TWEFZVZUXPWXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-15-10(6-11(17)16(2)12(15)18)8-5-7(13)3-4-9(8)14/h3-6H,14H2,1-2H3.
What are the key properties of 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione?
6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 265.70 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-5-chlorophenyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 121013141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).