ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C21H19BrN4O5 — CID 38916551

IUPACethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(Cn2cnc3ccc(Br)cc3c2=O)NC(=O)N[C@H]1c1ccc(C)o1
InChIInChI=1S/C21H19BrN4O5/c1-3-30-20(28)17-15(24-21(29)25-18(17)16-7-4-11(2)31-16)9-26-10-23-14-6-5-12(22)8-13(14)19(26)27/h4-8,10,18H,3,9H2,1-2H3,(H2,24,25,29)/t18-/m0/s1
InChIKeyOCJZHMSPPGACMC-SFHVURJKSA-N
MW487.31 g/mol
LogP2.93
Rot. Bonds5

About ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 38916551) has the molecular formula C21H19BrN4O5 and a molecular weight of 487.31 g/mol. Its IUPAC name is ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID38916551
Molecular FormulaC21H19BrN4O5
Molecular Weight487.31 g/mol
Exact Mass486.05
IUPAC Nameethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(Cn2cnc3ccc(Br)cc3c2=O)NC(=O)N[C@H]1c1ccc(C)o1
InChIInChI=1S/C21H19BrN4O5/c1-3-30-20(28)17-15(24-21(29)25-18(17)16-7-4-11(2)31-16)9-26-10-23-14-6-5-12(22)8-13(14)19(26)27/h4-8,10,18H,3,9H2,1-2H3,(H2,24,25,29)/t18-/m0/s1
InChIKeyOCJZHMSPPGACMC-SFHVURJKSA-N
XLogP2.93
TPSA115.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.31
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 4-(5-methylfuran-2-yl)-6-[(1-methyl-4-oxopyrazolo[5,4-d]pyrimidin-5-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42952379
ethyl (4S)-6-[(6-chloro-4-oxoquinazolin-3-yl)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 35115305
ethyl 2-oxo-6-[(4-oxoquinazolin-3-yl)methyl]-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42894786
ethyl (4S)-4-methyl-2-oxo-6-[(4-oxoquinazolin-3-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7531105
ethyl (4S)-4-(5-methylfuran-2-yl)-2-oxo-6-[[2-oxo-3-(trifluoromethyl)-1-pyridinyl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 39042009
ethyl 4-(furan-2-yl)-2-oxo-6-[(4-oxo-[1]benzofuro[3,2-d]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46608802
ethyl 4-(5-methylfuran-2-yl)-2-oxo-6-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43053150
ethyl 4-(4-chlorophenyl)-6-[(7-nitro-4-oxoquinazolin-3-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55357129
ethyl 6-[[4-(4-hydroxyphenyl)piperazin-1-yl]methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43053137
ethyl (4S)-4-(5-methylfuran-2-yl)-2-oxo-6-[[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 39977268
ethyl (4R)-4-(4-chlorophenyl)-2-oxo-6-[(4-oxothieno[2,3-d]pyrimidin-3-yl)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 38862034
ethyl (4R)-6-[[4-(2-methoxyethylcarbamoyl)piperidin-1-yl]methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 39977272

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 38916551) is ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(Cn2cnc3ccc(Br)cc3c2=O)NC(=O)N[C@H]1c1ccc(C)o1.
What is the InChIKey of ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is OCJZHMSPPGACMC-SFHVURJKSA-N. The full InChI is InChI=1S/C21H19BrN4O5/c1-3-30-20(28)17-15(24-21(29)25-18(17)16-7-4-11(2)31-16)9-26-10-23-14-6-5-12(22)8-13(14)19(26)27/h4-8,10,18H,3,9H2,1-2H3,(H2,24,25,29)/t18-/m0/s1.
What are the key properties of ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 487.31 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-6-[(6-bromo-4-oxoquinazolin-3-yl)methyl]-4-(5-methylfuran-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 38916551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).