2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid

C15H16ClN3O2 — CID 82169269

IUPAC2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid
SMILESCCN(CC)c1nc(-c2ccccc2Cl)ncc1C(=O)O
InChIInChI=1S/C15H16ClN3O2/c1-3-19(4-2)14-11(15(20)21)9-17-13(18-14)10-7-5-6-8-12(10)16/h5-9H,3-4H2,1-2H3,(H,20,21)
InChIKeyABWYAJVQMCDIEF-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.34
Rot. Bonds5

About 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid

2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid (PubChem CID 82169269) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid
PubChem CID82169269
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid
SMILESCCN(CC)c1nc(-c2ccccc2Cl)ncc1C(=O)O
InChIInChI=1S/C15H16ClN3O2/c1-3-19(4-2)14-11(15(20)21)9-17-13(18-14)10-7-5-6-8-12(10)16/h5-9H,3-4H2,1-2H3,(H,20,21)
InChIKeyABWYAJVQMCDIEF-UHFFFAOYSA-N
XLogP3.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(diethylamino)-2-(4-ethylphenyl)pyrimidine-5-carboxylic acid
CID 82169267
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248
4-amino-2-(2-chlorophenyl)-N-propylpyrimidine-5-carboxamide
CID 83567253
4-[benzyl-[2-(ethylamino)-2-oxoethyl]amino]-2-phenylpyrimidine-5-carboxylic acid
CID 141298259
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
4-(diethylamino)quinoline-3-carboxylic acid
CID 13295830
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
4-(2-chlorophenyl)-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 22831559
6-chloro-2-[ethyl(2-methoxyethyl)amino]pyridine-3-carboxylic acid
CID 55183616
2-[(2-amino-2-oxoethyl)-ethylamino]-6-chloropyridine-3-carboxylic acid
CID 103102785

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid (CID 82169269) is 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid is CCN(CC)c1nc(-c2ccccc2Cl)ncc1C(=O)O.
What is the InChIKey of 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is ABWYAJVQMCDIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-3-19(4-2)14-11(15(20)21)9-17-13(18-14)10-7-5-6-8-12(10)16/h5-9H,3-4H2,1-2H3,(H,20,21).
What are the key properties of 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid?
2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-4-(diethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).