2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol

C11H15N3OS2 — CID 43502532

IUPAC2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
SMILESCc1sc2nc(CSCCO)nc(N)c2c1C
InChIInChI=1S/C11H15N3OS2/c1-6-7(2)17-11-9(6)10(12)13-8(14-11)5-16-4-3-15/h15H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyLQVOKAACBLEHDY-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.12
Rot. Bonds4

About 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol

2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol (PubChem CID 43502532) has the molecular formula C11H15N3OS2 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol.

Molecular Properties

Compound Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
PubChem CID43502532
Molecular FormulaC11H15N3OS2
Molecular Weight269.39 g/mol
Exact Mass269.07
IUPAC Name2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol
SMILESCc1sc2nc(CSCCO)nc(N)c2c1C
InChIInChI=1S/C11H15N3OS2/c1-6-7(2)17-11-9(6)10(12)13-8(14-11)5-16-4-3-15/h15H,3-5H2,1-2H3,(H2,12,13,14)
InChIKeyLQVOKAACBLEHDY-UHFFFAOYSA-N
XLogP2.12
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(butylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60701127
2-(chloromethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 9115252
2-(azetidin-3-ylmethylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66290318
5,6-dimethyl-2-(2-methylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 61026333
2-(cyclopentylsulfanylmethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 60707023
2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 24557845
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl-(2,2-difluoroethyl)amino]ethanol
CID 107485493
5,6-dimethyl-2-(pyrazin-2-ylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 63381400
5,6-dimethyl-2-[[methyl(propan-2-yl)amino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62182672
5,6-dimethyl-2-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025252
[5,6-dimethyl-2-(2-methylsulfonylethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63659781
1-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-4-ol
CID 60703002

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol?
The IUPAC name of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol (CID 43502532) is 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol.
What is the SMILES notation for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol?
The canonical SMILES for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol is Cc1sc2nc(CSCCO)nc(N)c2c1C.
What is the InChIKey of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol?
The InChIKey is LQVOKAACBLEHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS2/c1-6-7(2)17-11-9(6)10(12)13-8(14-11)5-16-4-3-15/h15H,3-5H2,1-2H3,(H2,12,13,14).
What are the key properties of 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol?
2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol has a molecular weight of 269.39 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]ethanol is sourced from PubChem (CID 43502532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).