2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol

C16H16ClN3OS — CID 82065842

IUPAC2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(Cl)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H16ClN3OS/c1-2-20(8-9-21)14-12-10-13(11-6-4-3-5-7-11)22-15(12)19-16(17)18-14/h3-7,10,21H,2,8-9H2,1H3
InChIKeyBQJMZQIDOOKUPQ-UHFFFAOYSA-N
MW333.84 g/mol
LogP3.83
Rot. Bonds5

About 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol

2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol (PubChem CID 82065842) has the molecular formula C16H16ClN3OS and a molecular weight of 333.84 g/mol. Its IUPAC name is 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol
PubChem CID82065842
Molecular FormulaC16H16ClN3OS
Molecular Weight333.84 g/mol
Exact Mass333.07
IUPAC Name2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol
SMILESCCN(CCO)c1nc(Cl)nc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H16ClN3OS/c1-2-20(8-9-21)14-12-10-13(11-6-4-3-5-7-11)22-15(12)19-16(17)18-14/h3-7,10,21H,2,8-9H2,1H3
InChIKeyBQJMZQIDOOKUPQ-UHFFFAOYSA-N
XLogP3.83
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.84
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol?
The IUPAC name of 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol (CID 82065842) is 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol?
The canonical SMILES for 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol is CCN(CCO)c1nc(Cl)nc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol?
The InChIKey is BQJMZQIDOOKUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3OS/c1-2-20(8-9-21)14-12-10-13(11-6-4-3-5-7-11)22-15(12)19-16(17)18-14/h3-7,10,21H,2,8-9H2,1H3.
What are the key properties of 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol?
2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol has a molecular weight of 333.84 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-phenylthieno[2,3-d]pyrimidin-4-yl)-ethylamino]ethanol is sourced from PubChem (CID 82065842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).