3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione

C21H22N2O5 — CID 118467517

IUPAC3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c(C)c(-c3ccc(O)cc3)n(C)c2=O)cc1OC
InChIInChI=1S/C21H22N2O5/c1-13-19(15-6-8-16(24)9-7-15)22(2)21(26)23(20(13)25)12-14-5-10-17(27-3)18(11-14)28-4/h5-11,24H,12H2,1-4H3
InChIKeyTWBDHDGMEYZNCH-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.29
Rot. Bonds5

About 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione

3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 118467517) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione
PubChem CID118467517
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC Name3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)c(C)c(-c3ccc(O)cc3)n(C)c2=O)cc1OC
InChIInChI=1S/C21H22N2O5/c1-13-19(15-6-8-16(24)9-7-15)22(2)21(26)23(20(13)25)12-14-5-10-17(27-3)18(11-14)28-4/h5-11,24H,12H2,1-4H3
InChIKeyTWBDHDGMEYZNCH-UHFFFAOYSA-N
XLogP2.29
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione 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-(4-hydroxyphenyl)-1-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-3-methylpyrido[1,2-a]pyrimidin-5-ium-2-one
CID 175186769
3-[(3,4-dimethoxyphenyl)methyl]-1-ethylpyrimidine-2,4-dione
CID 63812375
1-[(3,4-dimethoxyphenyl)methyl]-2,4,5-triphenylimidazole
CID 134953177
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998
2,6-bis[2-(3,4-dimethoxyphenyl)ethyl]pyrrolo[3,4-f]isoindole-1,3,5,7-tetrone
CID 2731133
3-[(3,4-dimethoxyphenyl)methyl]-1H-pyrimidine-2,4-dione
CID 107104033
3-chloro-4-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]pyrrole-2,5-dione
CID 110583714
1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 118029923
(3R,4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4-dihydroxypyrrolidine-2,5-dione
CID 10870149
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
3-[(4-bromophenyl)methyl]-5,8-dimethoxy-1-methylquinazoline-2,4-dione
CID 118498750
3-[2-amino-9-[(3,4-dimethoxyphenyl)methyl]-7-methyl-8-oxopurin-6-yl]furan-2-carbohydrazide
CID 174700259

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione (CID 118467517) is 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione is COc1ccc(Cn2c(=O)c(C)c(-c3ccc(O)cc3)n(C)c2=O)cc1OC.
What is the InChIKey of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is TWBDHDGMEYZNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-13-19(15-6-8-16(24)9-7-15)22(2)21(26)23(20(13)25)12-14-5-10-17(27-3)18(11-14)28-4/h5-11,24H,12H2,1-4H3.
What are the key properties of 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione?
3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 382.42 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dimethoxyphenyl)methyl]-6-(4-hydroxyphenyl)-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 118467517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).