methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H18N2O7 — CID 1161280

IUPACmethyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C19H18N2O7/c1-10-15(18(23)26-3)16(21-19(24)20-10)11-6-7-12(14(9-11)25-2)28-17(22)13-5-4-8-27-13/h4-9,16H,1-3H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyIWSJQOMOUXCQIV-INIZCTEOSA-N
MW386.36 g/mol
LogP2.31
Rot. Bonds5

About methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 1161280) has the molecular formula C19H18N2O7 and a molecular weight of 386.36 g/mol. Its IUPAC name is methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID1161280
Molecular FormulaC19H18N2O7
Molecular Weight386.36 g/mol
Exact Mass386.11
IUPAC Namemethyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1
InChIInChI=1S/C19H18N2O7/c1-10-15(18(23)26-3)16(21-19(24)20-10)11-6-7-12(14(9-11)25-2)28-17(22)13-5-4-8-27-13/h4-9,16H,1-3H3,(H2,20,21,24)/t16-/m0/s1
InChIKeyIWSJQOMOUXCQIV-INIZCTEOSA-N
XLogP2.31
TPSA116.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.36
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

dimethyl 4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
CID 34256749
methyl 4-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4102498
methyl 4-(3-bromo-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3103125
methyl (4R)-4-[4-(2-hydroxyethoxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7108688
methyl (4S)-4-[3-(difluoromethoxy)-4-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8810970
furan-2-ylmethyl 4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854867
methyl (4R)-4-[4-(furan-2-carbonyloxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 979616
(4-methylphenyl)methyl 4-(3,4-dimethoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2854571
methyl 4-(3,4-dimethoxyphenyl)-5-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-6-carboxylate
CID 3103530
ethyl (4S)-4-[3-methoxy-4-[(4-methoxycarbonylphenyl)methoxy]phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41056647
methyl 4-[4-(cyclopropanecarbonyloxy)-3-ethoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 4646157
methyl 4-(4-benzoyloxy-3-methoxyphenyl)-6-ethyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110846253

Frequently Asked Questions

What is the IUPAC name of methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 1161280) is methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(OC(=O)c2ccco2)c(OC)c1.
What is the InChIKey of methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is IWSJQOMOUXCQIV-INIZCTEOSA-N. The full InChI is InChI=1S/C19H18N2O7/c1-10-15(18(23)26-3)16(21-19(24)20-10)11-6-7-12(14(9-11)25-2)28-17(22)13-5-4-8-27-13/h4-9,16H,1-3H3,(H2,20,21,24)/t16-/m0/s1.
What are the key properties of methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 386.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4S)-4-[4-(furan-2-carbonyloxy)-3-methoxyphenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 1161280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).