2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid

C13H10Cl2N2O2 — CID 114015723

IUPAC2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(Cl)cc(Cl)c2)nc(C)c1C(=O)O
InChIInChI=1S/C13H10Cl2N2O2/c1-6-11(13(18)19)7(2)17-12(16-6)8-3-9(14)5-10(15)4-8/h3-5H,1-2H3,(H,18,19)
InChIKeyABVHOYHEEFTZOS-UHFFFAOYSA-N
MW297.14 g/mol
LogP3.77
Rot. Bonds2

About 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid

2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 114015723) has the molecular formula C13H10Cl2N2O2 and a molecular weight of 297.14 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID114015723
Molecular FormulaC13H10Cl2N2O2
Molecular Weight297.14 g/mol
Exact Mass296.01
IUPAC Name2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(-c2cc(Cl)cc(Cl)c2)nc(C)c1C(=O)O
InChIInChI=1S/C13H10Cl2N2O2/c1-6-11(13(18)19)7(2)17-12(16-6)8-3-9(14)5-10(15)4-8/h3-5H,1-2H3,(H,18,19)
InChIKeyABVHOYHEEFTZOS-UHFFFAOYSA-N
XLogP3.77
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.14
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-2-naphthalen-2-ylpyrimidine-5-carboxylic acid
CID 62745589
4,6-dimethyl-2-thiophen-3-ylpyrimidine-5-carboxylic acid
CID 62745767
6-chloro-2-methyl-4-phenylquinoline-3-carboxylic acid
CID 626798
6-(4-chlorophenyl)-2-methyl-4-(trifluoromethyl)pyridine-3-carboxylic acid
CID 121205087
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
5-bromo-6-chloro-2,4-dimethylpyridine-3-carboxylic acid
CID 83668119
5-cyano-4-(3,5-dichlorophenyl)-6-methylpyridine-2-carboxylic acid
CID 134083096
2-(4-tert-butyl-2-hydroxyphenyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 153315877
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
3,5-dichlorobenzoic acid;hydrochloride
CID 70357109
6,8-dichloro-3-(4-chlorophenyl)-2-methylquinoline-4-carboxylic acid
CID 632567
2-(3,5-dichlorophenyl)-4-propylpyrimidine-5-carboxylic acid
CID 107918025

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid (CID 114015723) is 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(-c2cc(Cl)cc(Cl)c2)nc(C)c1C(=O)O.
What is the InChIKey of 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is ABVHOYHEEFTZOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O2/c1-6-11(13(18)19)7(2)17-12(16-6)8-3-9(14)5-10(15)4-8/h3-5H,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 297.14 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 114015723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).