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

C20H22N2O5 — CID 71653054

IUPAC(3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOc1cccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)c1
InChIInChI=1S/C20H22N2O5/c1-13-17(19(23)27-12-14-7-5-8-15(11-14)25-4)18(16-9-6-10-26-16)22(3)20(24)21(13)2/h5-11,18H,12H2,1-4H3
InChIKeyJQEGEAQNFIYCCD-UHFFFAOYSA-N
MW370.41 g/mol
LogP3.34
Rot. Bonds5

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

(3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (PubChem CID 71653054) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
PubChem CID71653054
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name(3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
SMILESCOc1cccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)c1
InChIInChI=1S/C20H22N2O5/c1-13-17(19(23)27-12-14-7-5-8-15(11-14)25-4)18(16-9-6-10-26-16)22(3)20(24)21(13)2/h5-11,18H,12H2,1-4H3
InChIKeyJQEGEAQNFIYCCD-UHFFFAOYSA-N
XLogP3.34
TPSA72.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate (CID 71653054) is (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is COc1cccc(COC(=O)C2=C(C)N(C)C(=O)N(C)C2c2ccco2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
The InChIKey is JQEGEAQNFIYCCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c1-13-17(19(23)27-12-14-7-5-8-15(11-14)25-4)18(16-9-6-10-26-16)22(3)20(24)21(13)2/h5-11,18H,12H2,1-4H3.
What are the key properties of (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate?
(3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate has a molecular weight of 370.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71653054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).