ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C15H24N2O3 — CID 123438757

IUPACethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESC=CCCC(C)CC1NC(=O)N=C(C)C1C(=O)OCC
InChIInChI=1S/C15H24N2O3/c1-5-7-8-10(3)9-12-13(14(18)20-6-2)11(4)16-15(19)17-12/h5,10,12-13H,1,6-9H2,2-4H3,(H,17,19)
InChIKeyYNDDQTSXZBKBSM-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.71
Rot. Bonds7

About ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 123438757) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID123438757
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Nameethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESC=CCCC(C)CC1NC(=O)N=C(C)C1C(=O)OCC
InChIInChI=1S/C15H24N2O3/c1-5-7-8-10(3)9-12-13(14(18)20-6-2)11(4)16-15(19)17-12/h5,10,12-13H,1,6-9H2,2-4H3,(H,17,19)
InChIKeyYNDDQTSXZBKBSM-UHFFFAOYSA-N
XLogP2.71
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91210558
ethyl (5R,6S)-6-[(1S)-cyclohex-3-en-1-yl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 140917667
ethyl 6-(furan-2-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90759980
ethyl (5R)-6-[(1S)-cyclohex-3-en-1-yl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 155273663
ethyl (5R)-2,5-dimethylnon-8-enoate
CID 89376277
ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 123471883
prop-2-enyl 4-methyl-2-oxo-6-(3,4,5-trimethoxyphenyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921131
ethyl 6-(3-chlorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91049028
ethyl 6-(3-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91360958
2-methylpropyl 6-(3-bromo-4-fluorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921406
ethyl 6-(3-cyanophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91540393
2-methylpropyl 6-(3-bromo-4-methoxyphenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921298

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 123438757) is ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is C=CCCC(C)CC1NC(=O)N=C(C)C1C(=O)OCC.
What is the InChIKey of ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is YNDDQTSXZBKBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-7-8-10(3)9-12-13(14(18)20-6-2)11(4)16-15(19)17-12/h5,10,12-13H,1,6-9H2,2-4H3,(H,17,19).
What are the key properties of ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-(2-methylhex-5-enyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 123438757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).