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

C20H20N4O6 — CID 27011384

IUPACethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(NC(C)=O)cc3)nc(N)c12
InChIInChI=1S/C20H20N4O6/c1-4-28-20(27)15-10(2)30-18-16(15)17(21)23-14(24-18)9-29-19(26)12-5-7-13(8-6-12)22-11(3)25/h5-8H,4,9H2,1-3H3,(H,22,25)(H2,21,23,24)
InChIKeyOPAAUVOIDVJQIM-UHFFFAOYSA-N
MW412.40 g/mol
LogP2.61
Rot. Bonds6

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

ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (PubChem CID 27011384) has the molecular formula C20H20N4O6 and a molecular weight of 412.40 g/mol. Its IUPAC name is ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
PubChem CID27011384
Molecular FormulaC20H20N4O6
Molecular Weight412.40 g/mol
Exact Mass412.14
IUPAC Nameethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(NC(C)=O)cc3)nc(N)c12
InChIInChI=1S/C20H20N4O6/c1-4-28-20(27)15-10(2)30-18-16(15)17(21)23-14(24-18)9-29-19(26)12-5-7-13(8-6-12)22-11(3)25/h5-8H,4,9H2,1-3H3,(H,22,25)(H2,21,23,24)
InChIKeyOPAAUVOIDVJQIM-UHFFFAOYSA-N
XLogP2.61
TPSA146.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

ethyl 4-amino-6-methyl-2-[(4-methyl-3-sulfamoylbenzoyl)oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55569452
ethyl 4-amino-2-[(3,5-dimethoxy-4-methylbenzoyl)oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30036376
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-(furan-2-yl)-4-methyl-6-methylsulfanylpyrimidine-5-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30656911
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-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30823989
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-(3-methoxycarbonylindol-1-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 37160678
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-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 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate (CID 27011384) is ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)c3ccc(NC(C)=O)cc3)nc(N)c12.
What is the InChIKey of ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is OPAAUVOIDVJQIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O6/c1-4-28-20(27)15-10(2)30-18-16(15)17(21)23-14(24-18)9-29-19(26)12-5-7-13(8-6-12)22-11(3)25/h5-8H,4,9H2,1-3H3,(H,22,25)(H2,21,23,24).
What are the key properties of ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate?
ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 412.40 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-acetamidobenzoyl)oxymethyl]-4-amino-6-methylfuro[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 27011384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).