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

C19H20N2O6 — CID 71653055

IUPAC(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)cc1OC
InChIInChI=1S/C19H20N2O6/c1-11-16(17(21-19(23)20-11)14-5-4-8-26-14)18(22)27-10-12-6-7-13(24-2)15(9-12)25-3/h4-9,17H,10H2,1-3H3,(H2,20,21,23)
InChIKeyXSDNRLVBMKNCDF-UHFFFAOYSA-N
MW372.38 g/mol
LogP2.67
Rot. Bonds6

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

(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 71653055) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID71653055
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)cc1OC
InChIInChI=1S/C19H20N2O6/c1-11-16(17(21-19(23)20-11)14-5-4-8-26-14)18(22)27-10-12-6-7-13(24-2)15(9-12)25-3/h4-9,17H,10H2,1-3H3,(H2,20,21,23)
InChIKeyXSDNRLVBMKNCDF-UHFFFAOYSA-N
XLogP2.67
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 71653055) is (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COc1ccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is XSDNRLVBMKNCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-11-16(17(21-19(23)20-11)14-5-4-8-26-14)18(22)27-10-12-6-7-13(24-2)15(9-12)25-3/h4-9,17H,10H2,1-3H3,(H2,20,21,23).
What are the key properties of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71653055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).