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

C23H20N2O3 — CID 5461444

IUPACmethyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(Cc2ccccc2)NC(=O)NC1c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c1-28-22(26)20-19(13-15-7-3-2-4-8-15)24-23(27)25-21(20)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,21H,13H2,1H3,(H2,24,25,27)
InChIKeyKORAVFADPQXWNG-UHFFFAOYSA-N
MW372.42 g/mol
LogP3.86
Rot. Bonds4

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

methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 5461444) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID5461444
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Namemethyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(Cc2ccccc2)NC(=O)NC1c1ccc2ccccc2c1
InChIInChI=1S/C23H20N2O3/c1-28-22(26)20-19(13-15-7-3-2-4-8-15)24-23(27)25-21(20)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,21H,13H2,1H3,(H2,24,25,27)
InChIKeyKORAVFADPQXWNG-UHFFFAOYSA-N
XLogP3.86
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 5461444) is methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COC(=O)C1=C(Cc2ccccc2)NC(=O)NC1c1ccc2ccccc2c1.
What is the InChIKey of methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is KORAVFADPQXWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-22(26)20-19(13-15-7-3-2-4-8-15)24-23(27)25-21(20)18-12-11-16-9-5-6-10-17(16)14-18/h2-12,14,21H,13H2,1H3,(H2,24,25,27).
What are the key properties of methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-benzyl-4-naphthalen-2-yl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 5461444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).