1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione

C23H26N2O4S — CID 15957736

IUPAC1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Sc2cc(C)cc(C)c2)n(Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H26N2O4S/c1-6-20-21(26)24-23(27)25(13-16-10-17(28-4)12-18(11-16)29-5)22(20)30-19-8-14(2)7-15(3)9-19/h7-12H,6,13H2,1-5H3,(H,24,26,27)
InChIKeyPOGIOXUQLBKYFE-UHFFFAOYSA-N
MW426.54 g/mol
LogP3.93
Rot. Bonds7

About 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione

1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione (PubChem CID 15957736) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione
PubChem CID15957736
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC Name1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione
SMILESCCc1c(Sc2cc(C)cc(C)c2)n(Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O
InChIInChI=1S/C23H26N2O4S/c1-6-20-21(26)24-23(27)25(13-16-10-17(28-4)12-18(11-16)29-5)22(20)30-19-8-14(2)7-15(3)9-19/h7-12H,6,13H2,1-5H3,(H,24,26,27)
InChIKeyPOGIOXUQLBKYFE-UHFFFAOYSA-N
XLogP3.93
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione (CID 15957736) is 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione is CCc1c(Sc2cc(C)cc(C)c2)n(Cc2cc(OC)cc(OC)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione?
The InChIKey is POGIOXUQLBKYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-6-20-21(26)24-23(27)25(13-16-10-17(28-4)12-18(11-16)29-5)22(20)30-19-8-14(2)7-15(3)9-19/h7-12H,6,13H2,1-5H3,(H,24,26,27).
What are the key properties of 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione?
1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione has a molecular weight of 426.54 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethoxyphenyl)methyl]-6-(3,5-dimethylphenyl)sulfanyl-5-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 15957736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).