2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid

C12H9Cl2N3O2 — CID 71689168

IUPAC2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-6-2-10(11(18)19)17-12(15-6)16-9-4-7(13)3-8(14)5-9/h2-5H,1H3,(H,18,19)(H,15,16,17)
InChIKeyUGSIWEFQRGOMEW-UHFFFAOYSA-N
MW298.13 g/mol
LogP3.53
Rot. Bonds3

About 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid

2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid (PubChem CID 71689168) has the molecular formula C12H9Cl2N3O2 and a molecular weight of 298.13 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid
PubChem CID71689168
Molecular FormulaC12H9Cl2N3O2
Molecular Weight298.13 g/mol
Exact Mass297.01
IUPAC Name2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C12H9Cl2N3O2/c1-6-2-10(11(18)19)17-12(15-6)16-9-4-7(13)3-8(14)5-9/h2-5H,1H3,(H,18,19)(H,15,16,17)
InChIKeyUGSIWEFQRGOMEW-UHFFFAOYSA-N
XLogP3.53
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.13
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

azepan-1-yl-[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]methanone
CID 109334510
[2-(3,5-dichloroanilino)-6-methylpyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109325994
2-(3,5-dichloroanilino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319236
2-(4-acetylanilino)-6-methylpyrimidine-4-carboxylic acid
CID 71689152
2-anilino-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109334524
1-[3-[[4-(3,5-dichloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 112931419
N-(3-chlorophenyl)-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336543
N-(3-acetylphenyl)-2-(3-chloroanilino)-6-methylpyrimidine-4-carboxamide
CID 109337049
5-[(4,6-dimethylpyrimidin-2-yl)amino]benzene-1,3-dicarboxylate
CID 9150492
N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
N-(3,5-dichlorophenyl)-6-methyl-2-(pentylamino)pyrimidine-4-carboxamide
CID 109333401
N-tert-butyl-2-(3-chloro-4-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332770

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid (CID 71689168) is 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid?
The InChIKey is UGSIWEFQRGOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3O2/c1-6-2-10(11(18)19)17-12(15-6)16-9-4-7(13)3-8(14)5-9/h2-5H,1H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid?
2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid has a molecular weight of 298.13 g/mol, XLogP of 3.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-6-methylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 71689168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).