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

C18H18N2O5 — CID 71653052

IUPAC(3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1cccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)c1
InChIInChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-7-4-8-24-14)17(21)25-10-12-5-3-6-13(9-12)23-2/h3-9,16H,10H2,1-2H3,(H2,19,20,22)
InChIKeyHCLMGVLYZNSZOR-UHFFFAOYSA-N
MW342.35 g/mol
LogP2.66
Rot. Bonds5

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

(3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 71653052) has the molecular formula C18H18N2O5 and a molecular weight of 342.35 g/mol. Its IUPAC name is (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Name(3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID71653052
Molecular FormulaC18H18N2O5
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Name(3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOc1cccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)c1
InChIInChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-7-4-8-24-14)17(21)25-10-12-5-3-6-13(9-12)23-2/h3-9,16H,10H2,1-2H3,(H2,19,20,22)
InChIKeyHCLMGVLYZNSZOR-UHFFFAOYSA-N
XLogP2.66
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 4-(furan-2-yl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2748280
3-Methoxybenzyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 71653054
Benzo[d][1,3]dioxol-5-ylmethyl 4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 71653198
Methyl 4-(2-furyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2867529
Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 613506
N~2~-{[(1s)-1-Carboxy-2-(Furan-2-Yl)ethyl]carbamoyl}-N~6~-(4-Iodobenzoyl)-L-Lysine
CID 46228341
1,3-benzodioxol-5-ylmethyl (4S)-4-(furan-2-yl)-1,3,6-trimethyl-2-oxo-4H-pyrimidine-5-carboxylate
CID 71653201
2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3370723
Methylethyl 6-(2-furyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate
CID 2748294
Ethyl 4-[5-(2-fluorophenyl)-2-furyl]-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2892678
Methyl 4-(2-furyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 3123319
4-Methoxybenzyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 71550900

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 71653052) is (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COc1cccc(COC(=O)C2=C(C)NC(=O)NC2c2ccco2)c1.
What is the InChIKey of (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is HCLMGVLYZNSZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O5/c1-11-15(16(20-18(22)19-11)14-7-4-8-24-14)17(21)25-10-12-5-3-6-13(9-12)23-2/h3-9,16H,10H2,1-2H3,(H2,19,20,22).
What are the key properties of (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
(3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)methyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 71653052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).