5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C13H16N2O3 — CID 162673763

IUPAC5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCCC(=O)C1=C(C)NC(=O)NC1c1ccco1
InChIInChI=1S/C13H16N2O3/c1-3-5-9(16)11-8(2)14-13(17)15-12(11)10-6-4-7-18-10/h4,6-7,12H,3,5H2,1-2H3,(H2,14,15,17)
InChIKeyHUFOMXLIOQVPJR-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.28
Rot. Bonds4

About 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 162673763) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID162673763
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCCCC(=O)C1=C(C)NC(=O)NC1c1ccco1
InChIInChI=1S/C13H16N2O3/c1-3-5-9(16)11-8(2)14-13(17)15-12(11)10-6-4-7-18-10/h4,6-7,12H,3,5H2,1-2H3,(H2,14,15,17)
InChIKeyHUFOMXLIOQVPJR-UHFFFAOYSA-N
XLogP2.28
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-furanyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester
CID 2748280
2-(Furan-2-yl)piperidine
CID 4715025
3-Methoxybenzyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 71653052
Methyl 4-(2-furyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 2867529
Ethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 613506
2-Methoxyethyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 3370723
Methylethyl 6-(2-furyl)-4-methyl-2-oxo-1,3,6-trihydropyrimidine-5-carboxylate
CID 2748294
Ethyl 4-[5-(2-fluorophenyl)furan-2-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 2892678
Methyl 4-(2-furyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
CID 3123319
N-[1-(5-butyl-2-furyl)ethyl]-N-hydroxyurea
CID 10513430
4-Methoxybenzyl 4-(furan-2-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 71550900
(4-Methoxyphenyl)methyl 6-(furan-2-yl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 71653050

Frequently Asked Questions

What is the IUPAC name of 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 162673763) is 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CCCC(=O)C1=C(C)NC(=O)NC1c1ccco1.
What is the InChIKey of 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is HUFOMXLIOQVPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-3-5-9(16)11-8(2)14-13(17)15-12(11)10-6-4-7-18-10/h4,6-7,12H,3,5H2,1-2H3,(H2,14,15,17).
What are the key properties of 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 248.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butanoyl-4-(furan-2-yl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 162673763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).