ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate

C19H19N3O5 — CID 51852431

IUPACethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccco2)cc1
InChIInChI=1S/C19H19N3O5/c1-3-26-18(24)12-6-8-13(9-7-12)21-17(23)15-11(2)20-19(25)22-16(15)14-5-4-10-27-14/h4-10,16H,3H2,1-2H3,(H,21,23)(H2,20,22,25)/t16-/m1/s1
InChIKeyPFXWEKFAJDFGAS-MRXNPFEDSA-N
MW369.38 g/mol
LogP2.72
Rot. Bonds5

About ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate

ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate (PubChem CID 51852431) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
PubChem CID51852431
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Nameethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccco2)cc1
InChIInChI=1S/C19H19N3O5/c1-3-26-18(24)12-6-8-13(9-7-12)21-17(23)15-11(2)20-19(25)22-16(15)14-5-4-10-27-14/h4-10,16H,3H2,1-2H3,(H,21,23)(H2,20,22,25)/t16-/m1/s1
InChIKeyPFXWEKFAJDFGAS-MRXNPFEDSA-N
XLogP2.72
TPSA109.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate with MolForge

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Launch Full Analysis

Related Compounds

propyl 4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 15524546
methyl 2-[[(4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7462474
ethyl 6-(benzoyloxymethyl)-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55397504
propan-2-yl (4R)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1161319
pentyl (4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7053020
ethyl 4-[[(4R)-5-cyano-4-(furan-2-yl)-2-methyl-6-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate
CID 98232731
ethyl (4S)-4-(furan-2-yl)-6-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 98290939
ethyl 6-[(N-ethylanilino)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55437835
[(4S)-5-ethoxycarbonyl-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 8683513
ethyl 4-[[4-[4-(2-ethoxy-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 19591150
ethyl 6-[(3-fluorobenzoyl)oxymethyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55396998
ethyl 4-[[(4S)-5-cyano-4-(furan-2-yl)-6-[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl-2-methyl-1,4-dihydropyridine-3-carbonyl]amino]benzoate
CID 98174698

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
The IUPAC name of ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate (CID 51852431) is ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate.
What is the SMILES notation for ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
The canonical SMILES for ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate is CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccco2)cc1.
What is the InChIKey of ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
The InChIKey is PFXWEKFAJDFGAS-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-26-18(24)12-6-8-13(9-7-12)21-17(23)15-11(2)20-19(25)22-16(15)14-5-4-10-27-14/h4-10,16H,3H2,1-2H3,(H,21,23)(H2,20,22,25)/t16-/m1/s1.
What are the key properties of ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate?
ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate has a molecular weight of 369.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[(4S)-4-(furan-2-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carbonyl]amino]benzoate is sourced from PubChem (CID 51852431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).