ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

C19H21N3O3 — CID 20925039

IUPACethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(Nc3cccc(CC)c3)c12
InChIInChI=1S/C19H21N3O3/c1-5-13-8-7-9-14(10-13)22-17-16-15(19(23)24-6-2)11(3)25-18(16)21-12(4)20-17/h7-10H,5-6H2,1-4H3,(H,20,21,22)
InChIKeyNTKMFBUPBOSALM-UHFFFAOYSA-N
MW339.40 g/mol
LogP4.32
Rot. Bonds5

About ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 20925039) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID20925039
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Nameethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(Nc3cccc(CC)c3)c12
InChIInChI=1S/C19H21N3O3/c1-5-13-8-7-9-14(10-13)22-17-16-15(19(23)24-6-2)11(3)25-18(16)21-12(4)20-17/h7-10H,5-6H2,1-4H3,(H,20,21,22)
InChIKeyNTKMFBUPBOSALM-UHFFFAOYSA-N
XLogP4.32
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]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

Related Compounds

ethyl 4-(3-acetylanilino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924908
ethyl 2,6-dimethyl-4-(pyridin-2-ylmethylamino)furo[2,3-d]pyrimidine-5-carboxylate
CID 20924992
ethyl 4-[3-[benzyl(butyl)amino]propylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925092
ethyl 4-(4-ethylanilino)-6-methyl-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947944
ethyl 5-(3-ethylanilino)-3-methyl-1,2-thiazole-4-carboxylate
CID 79375649
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 45106690
ethyl 2-(3-ethylanilino)-1,3-thiazole-4-carboxylate
CID 113221139
ethyl 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20925012
ethyl 6-methyl-4-[4-(2-phenylethylcarbamoyl)anilino]furo[2,3-d]pyrimidine-5-carboxylate
CID 155812162
ethyl 5-amino-2-(3-ethylanilino)benzoate
CID 63425793
ethyl 4-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 92886966

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (CID 20925039) is ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(C)nc(Nc3cccc(CC)c3)c12.
What is the InChIKey of ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is NTKMFBUPBOSALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-5-13-8-7-9-14(10-13)22-17-16-15(19(23)24-6-2)11(3)25-18(16)21-12(4)20-17/h7-10H,5-6H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 339.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 20925039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).