2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid

C14H15N3O3 — CID 83181278

IUPAC2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
SMILESCCOc1ccc(Nc2ncc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-3-20-11-6-4-10(5-7-11)17-14-15-8-12(13(18)19)9(2)16-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJMDOHGJCTCZEHQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP2.63
Rot. Bonds5

About 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid

2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83181278) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
PubChem CID83181278
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid
SMILESCCOc1ccc(Nc2ncc(C(=O)O)c(C)n2)cc1
InChIInChI=1S/C14H15N3O3/c1-3-20-11-6-4-10(5-7-11)17-14-15-8-12(13(18)19)9(2)16-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyJMDOHGJCTCZEHQ-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-(4-propan-2-ylanilino)pyrimidine-5-carboxylic acid
CID 83181873
2-(3,4-dichloroanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83182017
4-(4-ethoxyanilino)pyridine-3-carboxylic acid
CID 81233372
4-methyl-2-(pyridin-3-ylamino)pyrimidine-5-carboxylic acid
CID 83181577
2-(methoxyamino)-4-methylpyrimidine-5-carboxylic acid
CID 90980975
2-(4-bromo-3-methoxyanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83184960
N-[2,4-bis(4-ethoxyanilino)-6-methylpyrimidin-5-yl]benzamide
CID 22433684
2-(3-bromoanilino)-4-methylpyrimidine-5-carboxylic acid
CID 83181581
2-(4-ethoxyanilino)benzoic acid
CID 15247418
(3R)-3-amino-3-[2-(4-ethoxyanilino)pyrimidin-5-yl]propanoic acid
CID 40788632
2-[(1-ethylpyrazol-3-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 114250917
2-amino-4-(4-ethoxyanilino)benzoic acid
CID 104500077

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid (CID 83181278) is 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid is CCOc1ccc(Nc2ncc(C(=O)O)c(C)n2)cc1.
What is the InChIKey of 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is JMDOHGJCTCZEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-3-20-11-6-4-10(5-7-11)17-14-15-8-12(13(18)19)9(2)16-14/h4-8H,3H2,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid?
2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyanilino)-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83181278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).