ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

C19H26N4O5 — CID 45106690

IUPACethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(NC3CCN(C(=O)OCC)CC3)c12
InChIInChI=1S/C19H26N4O5/c1-5-26-18(24)14-11(3)28-17-15(14)16(20-12(4)21-17)22-13-7-9-23(10-8-13)19(25)27-6-2/h13H,5-10H2,1-4H3,(H,20,21,22)
InChIKeyXUWFMMPKFVYMAK-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.05
Rot. Bonds5

About ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 45106690) has the molecular formula C19H26N4O5 and a molecular weight of 390.44 g/mol. Its IUPAC name is ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID45106690
Molecular FormulaC19H26N4O5
Molecular Weight390.44 g/mol
Exact Mass390.19
IUPAC Nameethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(C)nc(NC3CCN(C(=O)OCC)CC3)c12
InChIInChI=1S/C19H26N4O5/c1-5-26-18(24)14-11(3)28-17-15(14)16(20-12(4)21-17)22-13-7-9-23(10-8-13)19(25)27-6-2/h13H,5-10H2,1-4H3,(H,20,21,22)
InChIKeyXUWFMMPKFVYMAK-UHFFFAOYSA-N
XLogP3.05
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-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-[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 92886966
ethyl 2,6-dimethyl-4-[3-(4-methylpiperazin-1-yl)propylamino]furo[2,3-d]pyrimidine-5-carboxylate
CID 20925012
ethyl 2,6-dimethyl-4-piperidin-1-ylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925009
ethyl 4-[[6-(cyclopropylamino)-2-methylpyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 112867497
ethyl 4-[(2,6-dimethylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 60726756
ethyl 4-(3-ethylanilino)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925039
ethyl 4-[(6-chloro-2-methylpyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 62482125
ethyl 4-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]piperidine-1-carboxylate
CID 114448111
ethyl 4-[(4-amino-1-methylpyrazol-3-yl)amino]piperidine-1-carboxylate
CID 103077884
ethyl 4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]piperidine-1-carboxylate
CID 60972700
ethyl 4-(2,3-dihydroindol-1-yl)-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20925050
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate (CID 45106690) is ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(C)nc(NC3CCN(C(=O)OCC)CC3)c12.
What is the InChIKey of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is XUWFMMPKFVYMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O5/c1-5-26-18(24)14-11(3)28-17-15(14)16(20-12(4)21-17)22-13-7-9-23(10-8-13)19(25)27-6-2/h13H,5-10H2,1-4H3,(H,20,21,22).
What are the key properties of ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 390.44 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2,6-dimethylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 45106690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).