3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

C13H14N2O4 — CID 107104033

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)cc[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-4-3-9(7-11(10)19-2)8-15-12(16)5-6-14-13(15)17/h3-7H,8H2,1-2H3,(H,14,17)
InChIKeyTVFQFMUNXGXDFZ-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.60
Rot. Bonds4

About 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione

3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 107104033) has the molecular formula C13H14N2O4 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID107104033
Molecular FormulaC13H14N2O4
Molecular Weight262.27 g/mol
Exact Mass262.10
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)cc[nH]c2=O)cc1OC
InChIInChI=1S/C13H14N2O4/c1-18-10-4-3-9(7-11(10)19-2)8-15-12(16)5-6-14-13(15)17/h3-7H,8H2,1-2H3,(H,14,17)
InChIKeyTVFQFMUNXGXDFZ-UHFFFAOYSA-N
XLogP0.60
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2,4-dioxo-1H-pyrimidin-3-yl)methyl]-2-methoxybenzonitrile
CID 107103957
3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63812375
4-[(3,4-dimethoxyphenyl)methyl]piperazine-2,6-dione
CID 63789962
1-[(3,4-dimethoxyphenyl)methyl]-4-(2,2-dimethylpropyl)-5,6-dioxopyrazine-2,3-dicarbonitrile
CID 134099857
4-amino-1-[(3,4-dimethoxyphenyl)methyl]pyridin-2-one
CID 82484402
3-[(3,4-dimethoxyphenyl)methyl]-4-hydroxy-1,3-thiazole-2-thione
CID 91113962
1-[(3,4-dimethoxyphenyl)methyl]-3-methyl-1,3-diazinan-2-one
CID 59011747
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
1-[(3-bromo-4-methoxyphenyl)methyl]-6-methylpyridin-2-one
CID 54970751
5-amino-1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyridin-2-one
CID 79355225
1,2-dimethoxy-4-(methoxymethyl)benzene;sulfuryl dichloride
CID 87637876
1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2-carbaldehyde
CID 43555151

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 107104033) is 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)cc[nH]c2=O)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is TVFQFMUNXGXDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c1-18-10-4-3-9(7-11(10)19-2)8-15-12(16)5-6-14-13(15)17/h3-7H,8H2,1-2H3,(H,14,17).
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione?
3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 262.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107104033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).