2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

C18H24N2O5 — CID 135538687

IUPAC2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCCCOc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc(=O)[nH]1
InChIInChI=1S/C18H24N2O5/c1-5-6-7-25-18-19-13(11-16(21)20-18)8-12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyABPRCVJPFYWDOS-UHFFFAOYSA-N
MW348.40 g/mol
LogP2.57
Rot. Bonds9

About 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one

2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135538687) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135538687
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCCCCOc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc(=O)[nH]1
InChIInChI=1S/C18H24N2O5/c1-5-6-7-25-18-19-13(11-16(21)20-18)8-12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20,21)
InChIKeyABPRCVJPFYWDOS-UHFFFAOYSA-N
XLogP2.57
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4(1H)-Pyrimidinone, 2-butoxy-6-((4-methoxyphenyl)methyl)-
CID 135538688
4-Hydroxy-6-(3,4,5-trimethoxyphenyl)-pyrimidine
CID 135754689
6-Hydroxytrimethoprim
CID 135956782
2-amino-6-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile
CID 135912060
4-(trifluoromethyl)-2-[(3,4,5-trimethoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 172437224
(4Z)-2-amino-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one;hydrochloride
CID 177653955
4-[(3,4-dimethoxyphenyl)methyl]-2-[(3,5-dimethoxyphenyl)methylsulfanyl]-5-iodo-1H-pyrimidin-6-one
CID 137226427
4(1H)-Pyrimidinone, 2-methoxy-6-[(3,4,5-trimethoxyphenyl)methyl]-
CID 135483767
(4E)-2-[(4-fluorophenyl)methyl]-4-[(3,4,5-trimethoxyphenyl)methylidene]-1H-imidazol-5-one
CID 136894578
4,6-Dihydroxy-2-[3,4,5-trimethoxybenzyl]pyrimidine
CID 550589
5-ethoxy-3-(2-methylpropyl)-6-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrazin-2-one
CID 57012988
5-amino-6-methoxy-2-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyridine-3-carbonitrile
CID 70307137

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 135538687) is 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is CCCCOc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc(=O)[nH]1.
What is the InChIKey of 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is ABPRCVJPFYWDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-5-6-7-25-18-19-13(11-16(21)20-18)8-12-9-14(22-2)17(24-4)15(10-12)23-3/h9-11H,5-8H2,1-4H3,(H,19,20,21).
What are the key properties of 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 348.40 g/mol, XLogP of 2.57, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135538687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).