ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate

C15H18N4O2 — CID 59517572

IUPACethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(N)cc2)nc1N(C)C
InChIInChI=1S/C15H18N4O2/c1-4-21-15(20)12-9-17-13(18-14(12)19(2)3)10-5-7-11(16)8-6-10/h5-9H,4,16H2,1-3H3
InChIKeySUZBWLKQXOYMPC-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.97
Rot. Bonds4

About ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate

ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate (PubChem CID 59517572) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
PubChem CID59517572
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Nameethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccc(N)cc2)nc1N(C)C
InChIInChI=1S/C15H18N4O2/c1-4-21-15(20)12-9-17-13(18-14(12)19(2)3)10-5-7-11(16)8-6-10/h5-9H,4,16H2,1-3H3
InChIKeySUZBWLKQXOYMPC-UHFFFAOYSA-N
XLogP1.97
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate (CID 59517572) is ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccc(N)cc2)nc1N(C)C.
What is the InChIKey of ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate?
The InChIKey is SUZBWLKQXOYMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-4-21-15(20)12-9-17-13(18-14(12)19(2)3)10-5-7-11(16)8-6-10/h5-9H,4,16H2,1-3H3.
What are the key properties of ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate?
ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate has a molecular weight of 286.34 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminophenyl)-4-(dimethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 59517572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).