6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

C15H16N2O3S2 — CID 11609728

IUPAC6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)(C)c1cc2c(s1)c(=O)n(O)c(=O)n2Cc1ccsc1
InChIInChI=1S/C15H16N2O3S2/c1-15(2,3)11-6-10-12(22-11)13(18)17(20)14(19)16(10)7-9-4-5-21-8-9/h4-6,8,20H,7H2,1-3H3
InChIKeyCZEZOTLKFJYBPE-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.87
Rot. Bonds2

About 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione

6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 11609728) has the molecular formula C15H16N2O3S2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID11609728
Molecular FormulaC15H16N2O3S2
Molecular Weight336.44 g/mol
Exact Mass336.06
IUPAC Name6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)(C)c1cc2c(s1)c(=O)n(O)c(=O)n2Cc1ccsc1
InChIInChI=1S/C15H16N2O3S2/c1-15(2,3)11-6-10-12(22-11)13(18)17(20)14(19)16(10)7-9-4-5-21-8-9/h4-6,8,20H,7H2,1-3H3
InChIKeyCZEZOTLKFJYBPE-UHFFFAOYSA-N
XLogP2.87
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.87
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 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione (CID 11609728) is 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is CC(C)(C)c1cc2c(s1)c(=O)n(O)c(=O)n2Cc1ccsc1.
What is the InChIKey of 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is CZEZOTLKFJYBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S2/c1-15(2,3)11-6-10-12(22-11)13(18)17(20)14(19)16(10)7-9-4-5-21-8-9/h4-6,8,20H,7H2,1-3H3.
What are the key properties of 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione?
6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 336.44 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11609728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).