4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid

C14H15N3O3 — CID 82169248

IUPAC4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
SMILESCOc1ccccc1-c1ncc(C(=O)O)c(N(C)C)n1
InChIInChI=1S/C14H15N3O3/c1-17(2)13-10(14(18)19)8-15-12(16-13)9-6-4-5-7-11(9)20-3/h4-8H,1-3H3,(H,18,19)
InChIKeySVKOUWUWRDKOJV-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.92
Rot. Bonds4

About 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid

4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid (PubChem CID 82169248) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
PubChem CID82169248
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
SMILESCOc1ccccc1-c1ncc(C(=O)O)c(N(C)C)n1
InChIInChI=1S/C14H15N3O3/c1-17(2)13-10(14(18)19)8-15-12(16-13)9-6-4-5-7-11(9)20-3/h4-8H,1-3H3,(H,18,19)
InChIKeySVKOUWUWRDKOJV-UHFFFAOYSA-N
XLogP1.92
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,5-dimethoxyphenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169256
ethyl 4-(diethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 59517774
methyl 4-amino-2-(2-methoxyphenyl)pyrimidine-5-carboxylate
CID 116646649
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 23008025
2-[2-(2-methoxyphenyl)phenyl]benzoic acid
CID 67896375
2-(4-chlorophenyl)-4-(dimethylamino)pyrimidine-5-carboxylic acid
CID 82169246
2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072
4-(dimethylamino)-2-phenyl-N-propan-2-ylpyrimidine-5-carboxamide
CID 42670143
2-(2-methoxyphenyl)-5-methylpyrimidine
CID 155698550
6-(2-methoxyphenyl)pyridine-2,3-dicarboxylic acid
CID 10923717
6-(2,5-dimethoxyphenyl)-2-(dimethylamino)pyridine-3-carboxylic acid
CID 94313799

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid (CID 82169248) is 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid is COc1ccccc1-c1ncc(C(=O)O)c(N(C)C)n1.
What is the InChIKey of 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid?
The InChIKey is SVKOUWUWRDKOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-17(2)13-10(14(18)19)8-15-12(16-13)9-6-4-5-7-11(9)20-3/h4-8H,1-3H3,(H,18,19).
What are the key properties of 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid?
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).