2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid

C15H17N3O4 — CID 82169256

IUPAC2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ncc(C(=O)O)c(N(C)C)n2)c1
InChIInChI=1S/C15H17N3O4/c1-18(2)14-11(15(19)20)8-16-13(17-14)10-7-9(21-3)5-6-12(10)22-4/h5-8H,1-4H3,(H,19,20)
InChIKeyPPUWLIIGYQPROB-UHFFFAOYSA-N
MW303.32 g/mol
LogP1.92
Rot. Bonds5

About 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid

2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid (PubChem CID 82169256) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
PubChem CID82169256
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
SMILESCOc1ccc(OC)c(-c2ncc(C(=O)O)c(N(C)C)n2)c1
InChIInChI=1S/C15H17N3O4/c1-18(2)14-11(15(19)20)8-16-13(17-14)10-7-9(21-3)5-6-12(10)22-4/h5-8H,1-4H3,(H,19,20)
InChIKeyPPUWLIIGYQPROB-UHFFFAOYSA-N
XLogP1.92
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
4-(2,5-dimethoxyphenyl)pyrimidine-5-carboxylic acid
CID 82484332
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
2-(2,5-dimethoxyphenyl)-6-methylquinoline-4-carboxylic acid
CID 841838
2-chloro-5-(2,4-dimethoxyphenyl)pyridine-4-carboxylic acid
CID 53223746
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
4-chloro-2-(2,5-dimethoxyphenyl)pyrimidine
CID 43654737
2-(2,5-dimethoxyphenyl)pyrimidin-4-amine
CID 62204234

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid (CID 82169256) is 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid is COc1ccc(OC)c(-c2ncc(C(=O)O)c(N(C)C)n2)c1.
What is the InChIKey of 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid?
The InChIKey is PPUWLIIGYQPROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-18(2)14-11(15(19)20)8-16-13(17-14)10-7-9(21-3)5-6-12(10)22-4/h5-8H,1-4H3,(H,19,20).
What are the key properties of 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid?
2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid has a molecular weight of 303.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).