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

C20H19N3O7 — CID 30823989

IUPACethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)COc3ccccc3C=O)nc(N)c12
InChIInChI=1S/C20H19N3O7/c1-3-27-20(26)16-11(2)30-19-17(16)18(21)22-14(23-19)9-29-15(25)10-28-13-7-5-4-6-12(13)8-24/h4-8H,3,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyPRQRKYYPCGVQQJ-UHFFFAOYSA-N
MW413.39 g/mol
LogP2.22
Rot. Bonds8

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

ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 30823989) has the molecular formula C20H19N3O7 and a molecular weight of 413.39 g/mol. Its IUPAC name is ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID30823989
Molecular FormulaC20H19N3O7
Molecular Weight413.39 g/mol
Exact Mass413.12
IUPAC Nameethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)COc3ccccc3C=O)nc(N)c12
InChIInChI=1S/C20H19N3O7/c1-3-27-20(26)16-11(2)30-19-17(16)18(21)22-14(23-19)9-29-15(25)10-28-13-7-5-4-6-12(13)8-24/h4-8H,3,9-10H2,1-2H3,(H2,21,22,23)
InChIKeyPRQRKYYPCGVQQJ-UHFFFAOYSA-N
XLogP2.22
TPSA143.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036376
ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 37178342
ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55441835
ethyl 4-amino-6-methyl-2-[[2-(tetrazol-1-yl)benzoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55479564
ethyl 4-amino-6-methyl-2-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 42020847
ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 27011384
ethyl 4-amino-2-[3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanoyloxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 42297125
ethyl 4-amino-2-[[2-(3-methoxycarbonylindol-1-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 37160678
ethyl 4-amino-6-methyl-2-[[(2S)-3-methyl-2-[(2-phenylacetyl)amino]butanoyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 16580384
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-6-methyl-2-[[methyl-[(2-methylphenyl)methyl]amino]methyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 17423851
ethyl 4-amino-2-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 97359683

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 30823989) is ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)COc3ccccc3C=O)nc(N)c12.
What is the InChIKey of ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is PRQRKYYPCGVQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O7/c1-3-27-20(26)16-11(2)30-19-17(16)18(21)22-14(23-19)9-29-15(25)10-28-13-7-5-4-6-12(13)8-24/h4-8H,3,9-10H2,1-2H3,(H2,21,22,23).
What are the key properties of ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 413.39 g/mol, XLogP of 2.22, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 30823989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).