ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

C21H19N5O6 — CID 55441835

IUPACethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)Cn3cnc4ccccc4c3=O)nc(N)c12
InChIInChI=1S/C21H19N5O6/c1-3-30-21(29)16-11(2)32-19-17(16)18(22)24-14(25-19)9-31-15(27)8-26-10-23-13-7-5-4-6-12(13)20(26)28/h4-7,10H,3,8-9H2,1-2H3,(H2,22,24,25)
InChIKeyFXAKXRITJMCEAD-UHFFFAOYSA-N
MW437.41 g/mol
LogP1.74
Rot. Bonds6

About ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 55441835) has the molecular formula C21H19N5O6 and a molecular weight of 437.41 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID55441835
Molecular FormulaC21H19N5O6
Molecular Weight437.41 g/mol
Exact Mass437.13
IUPAC Nameethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)oc2nc(COC(=O)Cn3cnc4ccccc4c3=O)nc(N)c12
InChIInChI=1S/C21H19N5O6/c1-3-30-21(29)16-11(2)32-19-17(16)18(22)24-14(25-19)9-31-15(27)8-26-10-23-13-7-5-4-6-12(13)20(26)28/h4-7,10H,3,8-9H2,1-2H3,(H2,22,24,25)
InChIKeyFXAKXRITJMCEAD-UHFFFAOYSA-N
XLogP1.74
TPSA152.43 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.41
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

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-[3-(4-oxothieno[2,3-d]pyrimidin-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55509122
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-[3-(2-oxo-1,3-benzoxazol-3-yl)propanoyloxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 42020847
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-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30823989
ethyl 4-amino-2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 2471245
(5-methyl-1,3,4-oxadiazol-2-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 32611315
(3-amino-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2,4,6-tetraen-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 25463788
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-(quinolin-2-ylsulfanylmethyl)furo[2,3-d]pyrimidine-5-carboxylate
CID 40658830
(1-propyltetrazol-5-yl)methyl 2-(4-oxoquinazolin-3-yl)acetate
CID 9405619

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 55441835) is ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCOC(=O)c1c(C)oc2nc(COC(=O)Cn3cnc4ccccc4c3=O)nc(N)c12.
What is the InChIKey of ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is FXAKXRITJMCEAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O6/c1-3-30-21(29)16-11(2)32-19-17(16)18(22)24-14(25-19)9-31-15(27)8-26-10-23-13-7-5-4-6-12(13)20(26)28/h4-7,10H,3,8-9H2,1-2H3,(H2,22,24,25).
What are the key properties of ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 437.41 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-6-methyl-2-[[2-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 55441835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).