5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione

C18H18N2O3S — CID 39350609

IUPAC5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESC=C(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21
InChIInChI=1S/C18H18N2O3S/c1-11(2)9-20-17-15(16(21)19(3)18(20)22)14(10-24-17)12-5-7-13(23-4)8-6-12/h5-8,10H,1,9H2,2-4H3
InChIKeyXBNMAGJPDFBMSK-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.01
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione

5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione (PubChem CID 39350609) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione
PubChem CID39350609
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC Name5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione
SMILESC=C(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21
InChIInChI=1S/C18H18N2O3S/c1-11(2)9-20-17-15(16(21)19(3)18(20)22)14(10-24-17)12-5-7-13(23-4)8-6-12/h5-8,10H,1,9H2,2-4H3
InChIKeyXBNMAGJPDFBMSK-UHFFFAOYSA-N
XLogP3.01
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxyphenyl)-3-methyl-1-prop-2-enylthieno[2,3-d]pyrimidine-2,4-dione
CID 39333147
1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39348633
5-(4-methoxyphenyl)-3-methyl-1-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidine-2,4-dione
CID 39336058
2-[3-benzyl-5-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-phenylacetamide
CID 39337235
5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 39313999
5-(4-methoxyphenyl)-3-prop-2-enyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 727644
5-(4-fluorophenyl)-3-[2-(4-methoxyphenoxy)ethyl]thieno[2,3-d]pyrimidin-4-one
CID 7629324
8-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]-1,3-dimethyl-7-(2-methylprop-2-enyl)purine-2,6-dione
CID 3727636
3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
CID 11610605
6-(2,4-dimethoxyphenyl)-4-methyl-2-(2-methylprop-2-enyl)-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 16623625
[4-[2-methoxy-4-(4-methoxyphenyl)-5-(2-methylprop-2-enoyloxy)phenyl]phenyl] 2-methylprop-2-enoate
CID 144772021
ethyl 2-[(E)-(4-hydroxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylideneamino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 135681111

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione (CID 39350609) is 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione is C=C(C)Cn1c(=O)n(C)c(=O)c2c(-c3ccc(OC)cc3)csc21.
What is the InChIKey of 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is XBNMAGJPDFBMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-11(2)9-20-17-15(16(21)19(3)18(20)22)14(10-24-17)12-5-7-13(23-4)8-6-12/h5-8,10H,1,9H2,2-4H3.
What are the key properties of 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione?
5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 342.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-methyl-1-(2-methylprop-2-enyl)thieno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 39350609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).