2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one

C10H12N2OS — CID 137049005

IUPAC2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C10H12N2OS/c1-10(2,3)9-11-6-4-5-14-7(6)8(13)12-9/h4-5H,1-3H3,(H,11,12,13)
InChIKeyBSYFUCAXTUUEKC-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.28
Rot. Bonds

About 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one

2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137049005) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137049005
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCC(C)(C)c1nc2ccsc2c(=O)[nH]1
InChIInChI=1S/C10H12N2OS/c1-10(2,3)9-11-6-4-5-14-7(6)8(13)12-9/h4-5H,1-3H3,(H,11,12,13)
InChIKeyBSYFUCAXTUUEKC-UHFFFAOYSA-N
XLogP2.28
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137049005) is 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one is CC(C)(C)c1nc2ccsc2c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is BSYFUCAXTUUEKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c1-10(2,3)9-11-6-4-5-14-7(6)8(13)12-9/h4-5H,1-3H3,(H,11,12,13).
What are the key properties of 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one?
2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 208.29 g/mol, XLogP of 2.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137049005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).