[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

C13H17N3OS — CID 115731858

IUPAC[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESCc1sc2ncnc(NC3(CO)CCC3)c2c1C
InChIInChI=1S/C13H17N3OS/c1-8-9(2)18-12-10(8)11(14-7-15-12)16-13(6-17)4-3-5-13/h7,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeySPSFMAWHYUDNCF-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.64
Rot. Bonds3

About [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol

[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (PubChem CID 115731858) has the molecular formula C13H17N3OS and a molecular weight of 263.37 g/mol. Its IUPAC name is [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
PubChem CID115731858
Molecular FormulaC13H17N3OS
Molecular Weight263.37 g/mol
Exact Mass263.11
IUPAC Name[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol
SMILESCc1sc2ncnc(NC3(CO)CCC3)c2c1C
InChIInChI=1S/C13H17N3OS/c1-8-9(2)18-12-10(8)11(14-7-15-12)16-13(6-17)4-3-5-13/h7,17H,3-6H2,1-2H3,(H,14,15,16)
InChIKeySPSFMAWHYUDNCF-UHFFFAOYSA-N
XLogP2.64
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The IUPAC name of [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol (CID 115731858) is [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol.
What is the SMILES notation for [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The canonical SMILES for [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is Cc1sc2ncnc(NC3(CO)CCC3)c2c1C.
What is the InChIKey of [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
The InChIKey is SPSFMAWHYUDNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS/c1-8-9(2)18-12-10(8)11(14-7-15-12)16-13(6-17)4-3-5-13/h7,17H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol?
[1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol has a molecular weight of 263.37 g/mol, XLogP of 2.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanol is sourced from PubChem (CID 115731858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).