5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid

C13H12Cl3N3O2 — CID 139062733

IUPAC5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid
SMILESCc1nc(C)c(Cl)c(N)n1.O=C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H4Cl2O2.C6H8ClN3/c8-4-1-2-5(7(10)11)6(9)3-4;1-3-5(7)6(8)10-4(2)9-3/h1-3H,(H,10,11);1-2H3,(H2,8,9,10)
InChIKeyKBCCZVTUMHOCGA-UHFFFAOYSA-N
MW348.62 g/mol
LogP4.02
Rot. Bonds1

About 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid

5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid (PubChem CID 139062733) has the molecular formula C13H12Cl3N3O2 and a molecular weight of 348.62 g/mol. Its IUPAC name is 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid.

Molecular Properties

Compound Name5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid
PubChem CID139062733
Molecular FormulaC13H12Cl3N3O2
Molecular Weight348.62 g/mol
Exact Mass347.00
IUPAC Name5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid
SMILESCc1nc(C)c(Cl)c(N)n1.O=C(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C7H4Cl2O2.C6H8ClN3/c8-4-1-2-5(7(10)11)6(9)3-4;1-3-5(7)6(8)10-4(2)9-3/h1-3H,(H,10,11);1-2H3,(H2,8,9,10)
InChIKeyKBCCZVTUMHOCGA-UHFFFAOYSA-N
XLogP4.02
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.62
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid 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

US10946019, Example 16
CID 95918404
US10946019, Example 14
CID 129051975
4,6-Dimethyl-2-pyrimidinyl 2,4,6-trichlorobenzenecarboxylate
CID 1476069
US10946019, Example 15
CID 129051923
4,6-Dimethyl-2-pyrimidinyl 2,4-dichlorobenzenecarboxylate
CID 1476064
2-(4-Chlorophenyl)-6-methylpyrimidine-4-carboxylic acid
CID 55114861
Pyrimethaminium 2,4-dichlorobenzoate
CID 139060860
6-Amino-5-chloro-2-(4-chloro-2-fluoro-3-methylphenyl)pyrimidine-4-carboxylic acid
CID 66954305
2-Amino-4-(2,6-dichlorophenyl)-6-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 149891252
2-Chloro-5-[[5-chloro-6-(difluoromethyl)pyrimidin-4-yl]methyl]-4-fluorobenzoic acid
CID 174453803
4-Amino-5-chloro-2,6-dimethylpyrimidine-2-aminobenzoic acid (1/1)
CID 139062734
4-Amino-5-chloro-2,6-dimethylpyrimidine-benzoic acid (1/1)
CID 139062735

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid?
The IUPAC name of 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid (CID 139062733) is 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid.
What is the SMILES notation for 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid?
The canonical SMILES for 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid is Cc1nc(C)c(Cl)c(N)n1.O=C(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid?
The InChIKey is KBCCZVTUMHOCGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2.C6H8ClN3/c8-4-1-2-5(7(10)11)6(9)3-4;1-3-5(7)6(8)10-4(2)9-3/h1-3H,(H,10,11);1-2H3,(H2,8,9,10).
What are the key properties of 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid?
5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid has a molecular weight of 348.62 g/mol, XLogP of 4.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,6-dimethylpyrimidin-4-amine;2,4-dichlorobenzoic acid is sourced from PubChem (CID 139062733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).