ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C19H19ClN2O4 — CID 45155803

IUPACethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H19ClN2O4/c1-4-25-18(23)16-11(2)22(3)19(24)21-17(16)15-10-9-14(26-15)12-7-5-6-8-13(12)20/h5-10,17H,4H2,1-3H3,(H,21,24)
InChIKeyTUNZDZSDHZIXJC-UHFFFAOYSA-N
MW374.82 g/mol
LogP4.13
Rot. Bonds4

About ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 45155803) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID45155803
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Nameethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C19H19ClN2O4/c1-4-25-18(23)16-11(2)22(3)19(24)21-17(16)15-10-9-14(26-15)12-7-5-6-8-13(12)20/h5-10,17H,4H2,1-3H3,(H,21,24)
InChIKeyTUNZDZSDHZIXJC-UHFFFAOYSA-N
XLogP4.13
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Related Compounds

ethyl (4R)-4-[5-(2-chlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1401367
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
propyl (6S)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2260418
methyl 4-[5-(2-chlorophenyl)furan-2-yl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 2874827
ethyl (6R)-6-(2-bromophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9449390
2-methoxyethyl (6R)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2166543
prop-2-enyl 6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864799
prop-2-enyl (6S)-6-(2-chlorophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7108799
ethyl 6-(2-methoxyphenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 2864928
ethyl 6-(2-chlorophenyl)-3-methyl-2-oxo-4-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 2830425
benzyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 162677330
ethyl (6S)-6-(2-chlorophenyl)-4-methyl-2-oxo-3-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 989615

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 45155803) is ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C)C(=O)NC1c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is TUNZDZSDHZIXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-4-25-18(23)16-11(2)22(3)19(24)21-17(16)15-10-9-14(26-15)12-7-5-6-8-13(12)20/h5-10,17H,4H2,1-3H3,(H,21,24).
What are the key properties of ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 374.82 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[5-(2-chlorophenyl)furan-2-yl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 45155803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).