ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

C23H25N5O6 — CID 37178342

IUPACethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCCn1c(=O)n(CC(=O)OCc2nc(N)c3c(C(=O)OCC)c(C)oc3n2)c2ccccc21
InChIInChI=1S/C23H25N5O6/c1-4-10-27-14-8-6-7-9-15(14)28(23(27)31)11-17(29)33-12-16-25-20(24)19-18(22(30)32-5-2)13(3)34-21(19)26-16/h6-9H,4-5,10-12H2,1-3H3,(H2,24,25,26)
InChIKeyOCVRBMDPPQERSR-UHFFFAOYSA-N
MW467.48 g/mol
LogP2.56
Rot. Bonds8

About ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate

ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (PubChem CID 37178342) has the molecular formula C23H25N5O6 and a molecular weight of 467.48 g/mol. Its IUPAC name is ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
PubChem CID37178342
Molecular FormulaC23H25N5O6
Molecular Weight467.48 g/mol
Exact Mass467.18
IUPAC Nameethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
SMILESCCCn1c(=O)n(CC(=O)OCc2nc(N)c3c(C(=O)OCC)c(C)oc3n2)c2ccccc21
InChIInChI=1S/C23H25N5O6/c1-4-10-27-14-8-6-7-9-15(14)28(23(27)31)11-17(29)33-12-16-25-20(24)19-18(22(30)32-5-2)13(3)34-21(19)26-16/h6-9H,4-5,10-12H2,1-3H3,(H2,24,25,26)
InChIKeyOCVRBMDPPQERSR-UHFFFAOYSA-N
XLogP2.56
TPSA144.47 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.48
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate with MolForge

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Related Compounds

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-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-(4-oxoquinazolin-3-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 55441835
ethyl 4-amino-2-[[2-(2-formylphenoxy)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 30823989
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-(2-oxo-3-propylbenzimidazol-1-yl)acetate
CID 24649256
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-[[(E)-2-cyano-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 97359683
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-(8-ethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetyl]oxymethyl]-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 55478911
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-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-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate
CID 16592702

Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate (CID 37178342) is ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is CCCn1c(=O)n(CC(=O)OCc2nc(N)c3c(C(=O)OCC)c(C)oc3n2)c2ccccc21.
What is the InChIKey of ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
The InChIKey is OCVRBMDPPQERSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O6/c1-4-10-27-14-8-6-7-9-15(14)28(23(27)31)11-17(29)33-12-16-25-20(24)19-18(22(30)32-5-2)13(3)34-21(19)26-16/h6-9H,4-5,10-12H2,1-3H3,(H2,24,25,26).
What are the key properties of ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate?
ethyl 4-amino-6-methyl-2-[[2-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate has a molecular weight of 467.48 g/mol, XLogP of 2.56, 8 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-(2-oxo-3-propylbenzimidazol-1-yl)acetyl]oxymethyl]furo[2,3-d]pyrimidine-5-carboxylate is sourced from PubChem (CID 37178342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).