[1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

C15H21F2N3O2S — CID 176867139

IUPAC[1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESCC(C)(C)c1nc2c(c(NC3(CO)CCC3)n1)S(=O)C(F)(F)C2
InChIInChI=1S/C15H21F2N3O2S/c1-13(2,3)12-18-9-7-15(16,17)23(22)10(9)11(19-12)20-14(8-21)5-4-6-14/h21H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyBEVOFUOTLBDXBG-UHFFFAOYSA-N
MW345.42 g/mol
LogP2.36
Rot. Bonds3

About [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

[1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (PubChem CID 176867139) has the molecular formula C15H21F2N3O2S and a molecular weight of 345.42 g/mol. Its IUPAC name is [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
PubChem CID176867139
Molecular FormulaC15H21F2N3O2S
Molecular Weight345.42 g/mol
Exact Mass345.13
IUPAC Name[1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESCC(C)(C)c1nc2c(c(NC3(CO)CCC3)n1)S(=O)C(F)(F)C2
InChIInChI=1S/C15H21F2N3O2S/c1-13(2,3)12-18-9-7-15(16,17)23(22)10(9)11(19-12)20-14(8-21)5-4-6-14/h21H,4-8H2,1-3H3,(H,18,19,20)
InChIKeyBEVOFUOTLBDXBG-UHFFFAOYSA-N
XLogP2.36
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (CID 176867139) is [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is CC(C)(C)c1nc2c(c(NC3(CO)CCC3)n1)S(=O)C(F)(F)C2.
What is the InChIKey of [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The InChIKey is BEVOFUOTLBDXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2N3O2S/c1-13(2,3)12-18-9-7-15(16,17)23(22)10(9)11(19-12)20-14(8-21)5-4-6-14/h21H,4-8H2,1-3H3,(H,18,19,20).
What are the key properties of [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
[1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol has a molecular weight of 345.42 g/mol, XLogP of 2.36, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-tert-butyl-6,6-difluoro-5-oxo-7H-thieno[3,2-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 176867139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).