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

C10H12ClN3OS — CID 82066585

IUPAC2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1sc2nc(Cl)nc(NCCO)c2c1C
InChIInChI=1S/C10H12ClN3OS/c1-5-6(2)16-9-7(5)8(12-3-4-15)13-10(11)14-9/h15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySKSYQNBCVGEAKH-UHFFFAOYSA-N
MW257.75 g/mol
LogP2.37
Rot. Bonds3

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

2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 82066585) has the molecular formula C10H12ClN3OS and a molecular weight of 257.75 g/mol. Its IUPAC name is 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID82066585
Molecular FormulaC10H12ClN3OS
Molecular Weight257.75 g/mol
Exact Mass257.04
IUPAC Name2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1sc2nc(Cl)nc(NCCO)c2c1C
InChIInChI=1S/C10H12ClN3OS/c1-5-6(2)16-9-7(5)8(12-3-4-15)13-10(11)14-9/h15H,3-4H2,1-2H3,(H,12,13,14)
InChIKeySKSYQNBCVGEAKH-UHFFFAOYSA-N
XLogP2.37
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.75
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 82066585) is 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1sc2nc(Cl)nc(NCCO)c2c1C.
What is the InChIKey of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is SKSYQNBCVGEAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3OS/c1-5-6(2)16-9-7(5)8(12-3-4-15)13-10(11)14-9/h15H,3-4H2,1-2H3,(H,12,13,14).
What are the key properties of 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 257.75 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 82066585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).