ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H21N3O8 — CID 43053168

IUPACethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CNC(=O)c2ccco2)NC(=O)NC1c1ccc(C)o1
InChIInChI=1S/C20H21N3O8/c1-3-28-19(26)16-12(22-20(27)23-17(16)13-7-6-11(2)31-13)10-30-15(24)9-21-18(25)14-5-4-8-29-14/h4-8,17H,3,9-10H2,1-2H3,(H,21,25)(H2,22,23,27)
InChIKeyDAPFBVMCLVMLJV-UHFFFAOYSA-N
MW431.40 g/mol
LogP1.33
Rot. Bonds8

About ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 43053168) has the molecular formula C20H21N3O8 and a molecular weight of 431.40 g/mol. Its IUPAC name is ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID43053168
Molecular FormulaC20H21N3O8
Molecular Weight431.40 g/mol
Exact Mass431.13
IUPAC Nameethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)CNC(=O)c2ccco2)NC(=O)NC1c1ccc(C)o1
InChIInChI=1S/C20H21N3O8/c1-3-28-19(26)16-12(22-20(27)23-17(16)13-7-6-11(2)31-13)10-30-15(24)9-21-18(25)14-5-4-8-29-14/h4-8,17H,3,9-10H2,1-2H3,(H,21,25)(H2,22,23,27)
InChIKeyDAPFBVMCLVMLJV-UHFFFAOYSA-N
XLogP1.33
TPSA149.11 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.40
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl 6-[3-(furan-2-carbonylamino)propanoyloxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46667164
ethyl 6-[(2-cyclohexylacetyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46606970
ethyl 4-(furan-2-yl)-2-oxo-6-[[2-[4-(trifluoromethyl)phenyl]acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55460322
ethyl 6-(benzoyloxymethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55397504
ethyl (4R)-4-(furan-2-yl)-6-[[methyl-[(5-methylfuran-2-yl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8810310
ethyl (4R)-6-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7566655
ethyl (4S)-6-[[2-(3,4-dimethoxyphenyl)acetyl]oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27890742
ethyl 4-(furan-2-yl)-2-oxo-6-[[2-(4-propanoylphenoxy)acetyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46829165
ethyl (4S)-4-ethyl-6-(furan-2-carbonyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7814439
ethyl (4S)-4-(5-methylfuran-2-yl)-2-oxo-6-[(2-quinoxalin-2-ylsulfanylacetyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25475320
ethyl 6-[(2-acetamido-2-cyclopentylacetyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55528706
ethyl 4-(4-methoxyphenyl)-6-[[2-[(3-methylbenzoyl)amino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46789728

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 43053168) is ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)CNC(=O)c2ccco2)NC(=O)NC1c1ccc(C)o1.
What is the InChIKey of ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is DAPFBVMCLVMLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O8/c1-3-28-19(26)16-12(22-20(27)23-17(16)13-7-6-11(2)31-13)10-30-15(24)9-21-18(25)14-5-4-8-29-14/h4-8,17H,3,9-10H2,1-2H3,(H,21,25)(H2,22,23,27).
What are the key properties of ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 431.40 g/mol, XLogP of 1.33, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-(furan-2-carbonylamino)acetyl]oxymethyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 43053168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).