3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione

C20H16N2O4S — CID 11610605

IUPAC3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)n(O)c(=O)c3scc(-c4ccccc4)c32)cc1
InChIInChI=1S/C20H16N2O4S/c1-26-15-9-7-13(8-10-15)11-21-17-16(14-5-3-2-4-6-14)12-27-18(17)19(23)22(25)20(21)24/h2-10,12,25H,11H2,1H3
InChIKeyVHUHCNPULYLRDS-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.19
Rot. Bonds4

About 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione

3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 11610605) has the molecular formula C20H16N2O4S and a molecular weight of 380.43 g/mol. Its IUPAC name is 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
PubChem CID11610605
Molecular FormulaC20H16N2O4S
Molecular Weight380.43 g/mol
Exact Mass380.08
IUPAC Name3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione
SMILESCOc1ccc(Cn2c(=O)n(O)c(=O)c3scc(-c4ccccc4)c32)cc1
InChIInChI=1S/C20H16N2O4S/c1-26-15-9-7-13(8-10-15)11-21-17-16(14-5-3-2-4-6-14)12-27-18(17)19(23)22(25)20(21)24/h2-10,12,25H,11H2,1H3
InChIKeyVHUHCNPULYLRDS-UHFFFAOYSA-N
XLogP3.19
TPSA73.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-[(4-methoxyphenyl)methyl]-5-phenyl-3-thia-7,10-diazatricyclo[6.5.0.02,6]trideca-1(8),2(6),4-triene-9,13-dione
CID 170859833
1-benzyl-5-(4-methoxyphenyl)-3-methylthieno[2,3-d]pyrimidine-2,4-dione
CID 39348633
1,2-dibenzyl-4-[(4-methoxyphenyl)methyl]-1,2,4-triazolidine-3,5-dione
CID 166447403
2-[3-benzyl-5-(4-methoxyphenyl)-2,4-dioxothieno[2,3-d]pyrimidin-1-yl]-N-phenylacetamide
CID 39337235
4-benzyl-2-[(4-methoxyphenyl)methyl]-1,2,4-thiadiazolidine-3,5-dione;methane
CID 159183792
11-[(4-methoxyphenyl)methyl]-9,14-dithia-11-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,15,17,19-octaen-12-one
CID 11676281
3-(4-methoxyphenyl)-2-methyl-7-phenylthieno[3,2-d]pyrimidin-4-one
CID 78322694
[3-benzoyloxy-2-[[7-(4-methoxyphenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]methoxy]propyl] benzoate
CID 10460972
5-(4-methoxyphenyl)-1-(2-oxo-2-piperidin-1-ylethyl)-3-phenylthieno[2,3-d]pyrimidine-2,4-dione
CID 39313999
1-benzyl-4-(4-methoxyphenyl)-2-oxopyridine-3-carbonitrile
CID 56598065
3-chloro-4-[(4-methoxyphenyl)methyl]-5-phenyl-1,2,4-triazole
CID 63383428
2-benzyl-4-(4-methoxyphenyl)pyridazin-3-one
CID 56927385

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione (CID 11610605) is 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione is COc1ccc(Cn2c(=O)n(O)c(=O)c3scc(-c4ccccc4)c32)cc1.
What is the InChIKey of 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is VHUHCNPULYLRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O4S/c1-26-15-9-7-13(8-10-15)11-21-17-16(14-5-3-2-4-6-14)12-27-18(17)19(23)22(25)20(21)24/h2-10,12,25H,11H2,1H3.
What are the key properties of 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione?
3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 380.43 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[(4-methoxyphenyl)methyl]-7-phenylthieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11610605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).