ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C19H34N2O3 — CID 98131682

IUPACethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCCCCCCCC[C@H]1NC(=O)NC(C)=C1C(=O)OCC
InChIInChI=1S/C19H34N2O3/c1-4-6-7-8-9-10-11-12-13-14-16-17(18(22)24-5-2)15(3)20-19(23)21-16/h16H,4-14H2,1-3H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyXGPRBKIBJHTTMT-MRXNPFEDSA-N
MW338.49 g/mol
LogP4.43
Rot. Bonds12

About ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 98131682) has the molecular formula C19H34N2O3 and a molecular weight of 338.49 g/mol. Its IUPAC name is ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID98131682
Molecular FormulaC19H34N2O3
Molecular Weight338.49 g/mol
Exact Mass338.26
IUPAC Nameethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCCCCCCCCCC[C@H]1NC(=O)NC(C)=C1C(=O)OCC
InChIInChI=1S/C19H34N2O3/c1-4-6-7-8-9-10-11-12-13-14-16-17(18(22)24-5-2)15(3)20-19(23)21-16/h16H,4-14H2,1-3H3,(H2,20,21,23)/t16-/m1/s1
InChIKeyXGPRBKIBJHTTMT-MRXNPFEDSA-N
XLogP4.43
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-methyl-4-octyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102498027
ethyl (4R)-4-heptyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92905967
ethyl 4-butyl-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 11128419
ethyl 4-(2-chloroethyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102341980
ethyl (4R)-2-oxo-4,6-dipropyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 93488806
ethyl 4-(2-ethoxy-6-pentadecylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10436532
4-hexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 67652768
5-ethoxycarbonyl-2,6-dimethyl-4-propyl-1,4-dihydropyridine-3-carboxylic acid
CID 23220426
4-butyl-N-(4-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 71654434
ethyl (4R)-4-(3,4-dihydroxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7584002
ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102579599
ethyl 4-(4-fluorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 650029

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 98131682) is ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCCCCCCCCCC[C@H]1NC(=O)NC(C)=C1C(=O)OCC.
What is the InChIKey of ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is XGPRBKIBJHTTMT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H34N2O3/c1-4-6-7-8-9-10-11-12-13-14-16-17(18(22)24-5-2)15(3)20-19(23)21-16/h16H,4-14H2,1-3H3,(H2,20,21,23)/t16-/m1/s1.
What are the key properties of ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 338.49 g/mol, XLogP of 4.43, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-6-methyl-2-oxo-4-undecyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 98131682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).