2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid

C16H19N3O3 — CID 53215012

IUPAC2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2ncc(C(=O)O)c(NC(C)C)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-4-22-12-7-5-11(6-8-12)14-17-9-13(16(20)21)15(19-14)18-10(2)3/h5-10H,4H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyIDZOLCDYGHNMFJ-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.06
Rot. Bonds6

About 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid

2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid (PubChem CID 53215012) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
PubChem CID53215012
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
SMILESCCOc1ccc(-c2ncc(C(=O)O)c(NC(C)C)n2)cc1
InChIInChI=1S/C16H19N3O3/c1-4-22-12-7-5-11(6-8-12)14-17-9-13(16(20)21)15(19-14)18-10(2)3/h5-10H,4H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyIDZOLCDYGHNMFJ-UHFFFAOYSA-N
XLogP3.06
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-ethoxyphenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169174
2-(4-ethoxyphenyl)-4-piperidin-1-ylpyrimidine-5-carboxylic acid
CID 53214932
4-(ethylamino)-2-(4-methylphenyl)pyrimidine-5-carboxylic acid
CID 82169097
6-(4-ethoxyphenyl)-2-oxo-1H-pyrimidine-5-carboxylic acid
CID 82484338
2-(4-chlorophenyl)-4-(propylamino)pyrimidine-5-carboxylic acid
CID 82169167
(3R)-3-amino-3-[2-(4-ethoxyphenyl)pyrimidin-5-yl]propanoic acid
CID 40801447
2-(2-methoxyethyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid
CID 53215000
2-(4-methoxyphenyl)-4-methylpyrimidine-5-carboxylic acid
CID 30031621
5-bromo-2-(4-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 66296065
2-[4-(3-cyanopropoxy)phenyl]-4-methylpyrimidine-5-carboxylic acid
CID 156772067
5-(4-ethoxyphenyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63382902
2-(2-ethoxyphenyl)-4-(methylamino)pyrimidine-5-carboxylic acid
CID 82169072

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid (CID 53215012) is 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid is CCOc1ccc(-c2ncc(C(=O)O)c(NC(C)C)n2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
The InChIKey is IDZOLCDYGHNMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-4-22-12-7-5-11(6-8-12)14-17-9-13(16(20)21)15(19-14)18-10(2)3/h5-10H,4H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid?
2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-4-(propan-2-ylamino)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 53215012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).