6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione

C10H12N2O3S — CID 11622825

IUPAC6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1
InChIInChI=1S/C10H12N2O3S/c1-10(2,3)6-4-5-7(16-6)8(13)12(15)9(14)11-5/h4,15H,1-3H3,(H,11,14)
InChIKeyAYYYYVMUNTXRRO-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.29
Rot. Bonds

About 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione

6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (PubChem CID 11622825) has the molecular formula C10H12N2O3S and a molecular weight of 240.28 g/mol. Its IUPAC name is 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
PubChem CID11622825
Molecular FormulaC10H12N2O3S
Molecular Weight240.28 g/mol
Exact Mass240.06
IUPAC Name6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
SMILESCC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1
InChIInChI=1S/C10H12N2O3S/c1-10(2,3)6-4-5-7(16-6)8(13)12(15)9(14)11-5/h4,15H,1-3H3,(H,11,14)
InChIKeyAYYYYVMUNTXRRO-UHFFFAOYSA-N
XLogP1.29
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-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

Related Compounds

3-Hydroxy-7-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11507180
3-Hydroxy-6-phenyl-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 11514445
6-(4-fluorophenyl)-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 134816129
3-Hydroxythieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 315025
5-Tert-butyl-3-[(2-cyanoacetyl)amino]thiophene-2-carboxamide
CID 2807852
6-Amino-1H-thieno[3,2-d]pyrimidine-2,4-dione
CID 44268116
3-hydroxy-6,7,8,9-tetrahydro-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
CID 172442185
10-Hydroxy-7-thia-10,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-9,11-dione
CID 172444722
N-hydroxy thienopyrimidine-2,4-dione
CID 156025203
6-(Trifluoromethyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
CID 137539031
6-Phenylthieno[3,2-d]pyrimidine-2,4-diol
CID 10037459
6-Tert-butyl-3-hydroxy-1-(thiophen-3-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 11609728

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The IUPAC name of 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione (CID 11622825) is 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is CC(C)(C)c1cc2[nH]c(=O)n(O)c(=O)c2s1.
What is the InChIKey of 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
The InChIKey is AYYYYVMUNTXRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3S/c1-10(2,3)6-4-5-7(16-6)8(13)12(15)9(14)11-5/h4,15H,1-3H3,(H,11,14).
What are the key properties of 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione?
6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione has a molecular weight of 240.28 g/mol, XLogP of 1.29, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-hydroxy-1H-thieno[3,2-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11622825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).