[1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol

C11H13F2N3OS — CID 175958196

IUPAC[1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol
SMILESOCC1(Nc2ncnc3c2SCC3)CC(F)(F)C1
InChIInChI=1S/C11H13F2N3OS/c12-11(13)3-10(4-11,5-17)16-9-8-7(1-2-18-8)14-6-15-9/h6,17H,1-5H2,(H,14,15,16)
InChIKeyVBFDNJKSNVZOJJ-UHFFFAOYSA-N
MW273.31 g/mol
LogP1.70
Rot. Bonds3

About [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol

[1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol (PubChem CID 175958196) has the molecular formula C11H13F2N3OS and a molecular weight of 273.31 g/mol. Its IUPAC name is [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol.

Molecular Properties

Compound Name[1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol
PubChem CID175958196
Molecular FormulaC11H13F2N3OS
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name[1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol
SMILESOCC1(Nc2ncnc3c2SCC3)CC(F)(F)C1
InChIInChI=1S/C11H13F2N3OS/c12-11(13)3-10(4-11,5-17)16-9-8-7(1-2-18-8)14-6-15-9/h6,17H,1-5H2,(H,14,15,16)
InChIKeyVBFDNJKSNVZOJJ-UHFFFAOYSA-N
XLogP1.70
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol?
The IUPAC name of [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol (CID 175958196) is [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol.
What is the SMILES notation for [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol?
The canonical SMILES for [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol is OCC1(Nc2ncnc3c2SCC3)CC(F)(F)C1.
What is the InChIKey of [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol?
The InChIKey is VBFDNJKSNVZOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N3OS/c12-11(13)3-10(4-11,5-17)16-9-8-7(1-2-18-8)14-6-15-9/h6,17H,1-5H2,(H,14,15,16).
What are the key properties of [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol?
[1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol has a molecular weight of 273.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dihydrothieno[3,2-d]pyrimidin-4-ylamino)-3,3-difluorocyclobutyl]methanol is sourced from PubChem (CID 175958196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).