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

C21H24N2O6 — CID 71653195

IUPAC(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)cc1OC
InChIInChI=1S/C21H24N2O6/c1-13-18(19(16-7-6-10-28-16)23(3)21(25)22(13)2)20(24)29-12-14-8-9-15(26-4)17(11-14)27-5/h6-11,19H,12H2,1-5H3
InChIKeyQMQGTWADIOTYLO-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.35
Rot. Bonds6

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

(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 71653195) has the molecular formula C21H24N2O6 and a molecular weight of 400.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID71653195
Molecular FormulaC21H24N2O6
Molecular Weight400.43 g/mol
Exact Mass400.16
IUPAC Name(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)cc1OC
InChIInChI=1S/C21H24N2O6/c1-13-18(19(16-7-6-10-28-16)23(3)21(25)22(13)2)20(24)29-12-14-8-9-15(26-4)17(11-14)27-5/h6-11,19H,12H2,1-5H3
InChIKeyQMQGTWADIOTYLO-UHFFFAOYSA-N
XLogP3.35
TPSA81.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
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)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (CID 71653195) is (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is COc1ccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is QMQGTWADIOTYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O6/c1-13-18(19(16-7-6-10-28-16)23(3)21(25)22(13)2)20(24)29-12-14-8-9-15(26-4)17(11-14)27-5/h6-11,19H,12H2,1-5H3.
What are the key properties of (3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
(3,4-dimethoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 3.35, 6 rotatable bonds, 0 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)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71653195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).