ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

C21H23N3O7 — CID 30036376

IUPACethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3cc(OC)c(C)c(OC)c3)nc(N)c12
InChIInChI=1S/C21H23N3O7/c1-6-29-21(26)16-11(3)31-19-17(16)18(22)23-15(24-19)9-30-20(25)12-7-13(27-4)10(2)14(8-12)28-5/h7-8H,6,9H2,1-5H3,(H2,22,23,24)
InChIKeyDWVVIODDKRFQKC-UHFFFAOYSA-N
MW429.43 g/mol
LogP2.97
Rot. Bonds7

About ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 30036376) has the molecular formula C21H23N3O7 and a molecular weight of 429.43 g/mol. Its IUPAC name is ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID30036376
Molecular FormulaC21H23N3O7
Molecular Weight429.43 g/mol
Exact Mass429.15
IUPAC Nameethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3cc(OC)c(C)c(OC)c3)nc(N)c12
InChIInChI=1S/C21H23N3O7/c1-6-29-21(26)16-11(3)31-19-17(16)18(22)23-15(24-19)9-30-20(25)12-7-13(27-4)10(2)14(8-12)28-5/h7-8H,6,9H2,1-5H3,(H2,22,23,24)
InChIKeyDWVVIODDKRFQKC-UHFFFAOYSA-N
XLogP2.97
TPSA136.00 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 27011384
ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55569452
ethyl 4-amino-2-[(4-chloro-3-sulfamoylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 55384817
ethyl 4-amino-2-[(4-chloro-1H-pyrrole-2-carbonyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036602
ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30823989
ethyl 4-amino-6-methyl-2-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55479564
ethyl 4-amino-2-[[1-(furan-2-ylmethyl)-2,5-dimethylpyrrole-3-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 42020802
ethyl 4-amino-2-[[2-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30656911
ethyl 4-amino-2-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 37160400
ethyl 4-amino-6-methyl-2-[[2-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 16592702
ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 2471245
ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 42297125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 30036376) is ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)c3cc(OC)c(C)c(OC)c3)nc(N)c12.
What is the InChIKey of ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is DWVVIODDKRFQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O7/c1-6-29-21(26)16-11(3)31-19-17(16)18(22)23-15(24-19)9-30-20(25)12-7-13(27-4)10(2)14(8-12)28-5/h7-8H,6,9H2,1-5H3,(H2,22,23,24).
What are the key properties of ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 429.43 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 30036376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).