2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid

C14H15N3O3 — CID 82169072

IUPAC2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1ncc(C(=O)O)c(NC)n1
InChIInChI=1S/C14H15N3O3/c1-3-20-11-7-5-4-6-9(11)13-16-8-10(14(18)19)12(15-2)17-13/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUWVCXKLTNVOPNR-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.28
Rot. Bonds5

About 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid

2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid (PubChem CID 82169072) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
PubChem CID82169072
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
SMILESCCOc1ccccc1-c1ncc(C(=O)O)c(NC)n1
InChIInChI=1S/C14H15N3O3/c1-3-20-11-7-5-4-6-9(11)13-16-8-10(14(18)19)12(15-2)17-13/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyUWVCXKLTNVOPNR-UHFFFAOYSA-N
XLogP2.28
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-ethoxyphenyl)-4-ethylpyrimidine-5-carboxylic acid
CID 115534194
2-(2-fluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169063
2-(2,5-difluorophenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 116864976
2-(2-ethoxyphenyl)-N,5,6-trimethylpyrimidin-4-amine
CID 62202263
2-(2-fluorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169164
2-(2-ethoxyphenyl)-5-fluorobenzoic acid
CID 55120835
3-(2-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445826
4-(dimethylamino)-2-(2-methoxyphenyl)pyrimidine-5-carboxylic acid
CID 82169248
4-amino-2-(2-butoxyphenyl)-N-methylpyrimidine-5-carboxamide
CID 83567296
2-(2,4-dimethoxyphenyl)-4-(ethylamino)pyrimidine-5-carboxylic acid
CID 82169115
2-(2-methylphenyl)-4-(2-methylpropylamino)pyrimidine-5-carboxylic acid
CID 82169183
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid (CID 82169072) is 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid is CCOc1ccccc1-c1ncc(C(=O)O)c(NC)n1.
What is the InChIKey of 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
The InChIKey is UWVCXKLTNVOPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-11-7-5-4-6-9(11)13-16-8-10(14(18)19)12(15-2)17-13/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid?
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82169072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).