2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C15H23FN4OS — CID 176869231

IUPAC2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc2c(c(NC3CN(CCF)C3)n1)S(=O)CC2
InChIInChI=1S/C15H23FN4OS/c1-15(2,3)14-18-11-4-7-22(21)12(11)13(19-14)17-10-8-20(9-10)6-5-16/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyQZVOYAAFPPXLIT-UHFFFAOYSA-N
MW326.44 g/mol
LogP1.50
Rot. Bonds4

About 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 176869231) has the molecular formula C15H23FN4OS and a molecular weight of 326.44 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID176869231
Molecular FormulaC15H23FN4OS
Molecular Weight326.44 g/mol
Exact Mass326.16
IUPAC Name2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESCC(C)(C)c1nc2c(c(NC3CN(CCF)C3)n1)S(=O)CC2
InChIInChI=1S/C15H23FN4OS/c1-15(2,3)14-18-11-4-7-22(21)12(11)13(19-14)17-10-8-20(9-10)6-5-16/h10H,4-9H2,1-3H3,(H,17,18,19)
InChIKeyQZVOYAAFPPXLIT-UHFFFAOYSA-N
XLogP1.50
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 176869231) is 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is CC(C)(C)c1nc2c(c(NC3CN(CCF)C3)n1)S(=O)CC2.
What is the InChIKey of 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is QZVOYAAFPPXLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN4OS/c1-15(2,3)14-18-11-4-7-22(21)12(11)13(19-14)17-10-8-20(9-10)6-5-16/h10H,4-9H2,1-3H3,(H,17,18,19).
What are the key properties of 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 326.44 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 176869231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).