benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C17H16N2O4 — CID 2748301

IUPACbenzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1
InChIInChI=1S/C17H16N2O4/c1-11-14(16(20)23-10-12-6-3-2-4-7-12)15(19-17(21)18-11)13-8-5-9-22-13/h2-9,15H,10H2,1H3,(H2,18,19,21)
InChIKeyLLSJWXAWACNRQA-UHFFFAOYSA-N
MW312.32 g/mol
LogP2.65
Rot. Bonds4

About benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 2748301) has the molecular formula C17H16N2O4 and a molecular weight of 312.32 g/mol. Its IUPAC name is benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID2748301
Molecular FormulaC17H16N2O4
Molecular Weight312.32 g/mol
Exact Mass312.11
IUPAC Namebenzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1
InChIInChI=1S/C17H16N2O4/c1-11-14(16(20)23-10-12-6-3-2-4-7-12)15(19-17(21)18-11)13-8-5-9-22-13/h2-9,15H,10H2,1H3,(H2,18,19,21)
InChIKeyLLSJWXAWACNRQA-UHFFFAOYSA-N
XLogP2.65
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 2748301) is benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CC1=C(C(=O)OCc2ccccc2)C(c2ccco2)NC(=O)N1.
What is the InChIKey of benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is LLSJWXAWACNRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-11-14(16(20)23-10-12-6-3-2-4-7-12)15(19-17(21)18-11)13-8-5-9-22-13/h2-9,15H,10H2,1H3,(H2,18,19,21).
What are the key properties of benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 312.32 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 2748301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).