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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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).