6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid

C11H6BrCl2N3O2 — CID 172722895

IUPAC6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1nc(-c2cccc(Cl)c2Cl)nc(C(=O)O)c1Br
InChIInChI=1S/C11H6BrCl2N3O2/c12-6-8(11(18)19)16-10(17-9(6)15)4-2-1-3-5(13)7(4)14/h1-3H,(H,18,19)(H2,15,16,17)
InChIKeyGTGARNDUKJUTBE-UHFFFAOYSA-N
MW363.00 g/mol
LogP3.49
Rot. Bonds2

About 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid

6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid (PubChem CID 172722895) has the molecular formula C11H6BrCl2N3O2 and a molecular weight of 363.00 g/mol. Its IUPAC name is 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid
PubChem CID172722895
Molecular FormulaC11H6BrCl2N3O2
Molecular Weight363.00 g/mol
Exact Mass360.90
IUPAC Name6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid
SMILESNc1nc(-c2cccc(Cl)c2Cl)nc(C(=O)O)c1Br
InChIInChI=1S/C11H6BrCl2N3O2/c12-6-8(11(18)19)16-10(17-9(6)15)4-2-1-3-5(13)7(4)14/h1-3H,(H,18,19)(H2,15,16,17)
InChIKeyGTGARNDUKJUTBE-UHFFFAOYSA-N
XLogP3.49
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.00
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852436
6-amino-5-chloro-2-(4-chloro-2,3-difluorophenyl)pyrimidine-4-carboxylic acid
CID 67048731
2-(2,3-dichlorophenyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66295536
2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295881
6-tert-butyl-2-(2,3-dichlorophenyl)-5-iodopyrimidin-4-amine
CID 66295197
3-amino-5-(2,3-dichlorophenyl)benzoic acid
CID 53227648
5-(2,3-dichlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 26370041
methyl 6-amino-5-bromo-2-(4-chloro-2-fluoro-3-methoxyphenyl)pyrimidine-4-carboxylate
CID 59432116
methyl 6-amino-2-chloropyrimidine-4-carboxylate;methyl 6-amino-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylate
CID 163859352
3-amino-6-(2-chlorophenyl)pyrazine-2-carboxylic acid
CID 59263791
2-amino-8-chloroquinazoline-4-carboxylic acid
CID 105481373
6-amino-3-(2,6-dichlorophenyl)pyridine-2-carboxylic acid
CID 133087067

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid (CID 172722895) is 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid is Nc1nc(-c2cccc(Cl)c2Cl)nc(C(=O)O)c1Br.
What is the InChIKey of 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid?
The InChIKey is GTGARNDUKJUTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrCl2N3O2/c12-6-8(11(18)19)16-10(17-9(6)15)4-2-1-3-5(13)7(4)14/h1-3H,(H,18,19)(H2,15,16,17).
What are the key properties of 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid?
6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid has a molecular weight of 363.00 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-bromo-2-(2,3-dichlorophenyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 172722895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).