ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate

C21H25N3O5 — CID 24507547

IUPACethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccccc3C)[nH]c(=O)c12
InChIInChI=1S/C21H25N3O5/c1-5-27-21(26)17-14(3)29-20-18(17)19(25)22-16(23-20)12-24(4)10-11-28-15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3,(H,22,23,25)
InChIKeyFMWAEQHORJWKRO-UHFFFAOYSA-N
MW399.45 g/mol
LogP2.82
Rot. Bonds8

About ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate

ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 24507547) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID24507547
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC Nameethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccccc3C)[nH]c(=O)c12
InChIInChI=1S/C21H25N3O5/c1-5-27-21(26)17-14(3)29-20-18(17)19(25)22-16(23-20)12-24(4)10-11-28-15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3,(H,22,23,25)
InChIKeyFMWAEQHORJWKRO-UHFFFAOYSA-N
XLogP2.82
TPSA97.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate (CID 24507547) is ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(CN(C)CCOc3ccccc3C)[nH]c(=O)c12.
What is the InChIKey of ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is FMWAEQHORJWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-5-27-21(26)17-14(3)29-20-18(17)19(25)22-16(23-20)12-24(4)10-11-28-15-9-7-6-8-13(15)2/h6-9H,5,10-12H2,1-4H3,(H,22,23,25).
What are the key properties of ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 399.45 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-[[methyl-[2-(2-methylphenoxy)ethyl]amino]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 24507547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).