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

C15H18N2O5 — CID 135483767

IUPAC2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O5/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(18)17-15(16-10)22-4/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyLLVGZUPSMAEQFU-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.40
Rot. Bonds6

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

2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (PubChem CID 135483767) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
PubChem CID135483767
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one
SMILESCOc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc(=O)[nH]1
InChIInChI=1S/C15H18N2O5/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(18)17-15(16-10)22-4/h6-8H,5H2,1-4H3,(H,16,17,18)
InChIKeyLLVGZUPSMAEQFU-UHFFFAOYSA-N
XLogP1.40
TPSA82.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-5-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-4-one
CID 597783
(5Z)-2-imino-1-methyl-5-(3,4,5-trimethoxybenzylidene)imidazolidin-4-one
CID 5725391
4-Hydroxy-6-(3,4,5-trimethoxyphenyl)-pyrimidine
CID 135754689
6-Hydroxytrimethoprim
CID 135956782
5-methyl-2-(3,4,5-trimethoxyphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 12726115
2-((3,4-dimethoxyphenethyl)amino)-6-methylpyrimidin-4(3H)-one
CID 135412175
2-amino-6-oxo-4-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carbonitrile
CID 135912060
2-Amino-6-(3,4-dimethoxyphenyl)pyrimidin-4-ol
CID 135981195
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-butoxy-6-((3,4,5-trimethoxyphenyl)methyl)-
CID 135538687

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one (CID 135483767) is 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is COc1nc(Cc2cc(OC)c(OC)c(OC)c2)cc(=O)[nH]1.
What is the InChIKey of 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
The InChIKey is LLVGZUPSMAEQFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-19-11-6-9(7-12(20-2)14(11)21-3)5-10-8-13(18)17-15(16-10)22-4/h6-8H,5H2,1-4H3,(H,16,17,18).
What are the key properties of 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one?
2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one has a molecular weight of 306.32 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(3,4,5-trimethoxyphenyl)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 135483767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).