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

C11H11ClF3N3OS — CID 107482198

IUPAC2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc2c(N(CCO)CC(F)(F)F)nc(Cl)nc2s1
InChIInChI=1S/C11H11ClF3N3OS/c1-6-4-7-8(16-10(12)17-9(7)20-6)18(2-3-19)5-11(13,14)15/h4,19H,2-3,5H2,1H3
InChIKeyPOFAPHJREBXSCW-UHFFFAOYSA-N
MW325.74 g/mol
LogP3.01
Rot. Bonds4

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

2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (PubChem CID 107482198) has the molecular formula C11H11ClF3N3OS and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
PubChem CID107482198
Molecular FormulaC11H11ClF3N3OS
Molecular Weight325.74 g/mol
Exact Mass325.03
IUPAC Name2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol
SMILESCc1cc2c(N(CCO)CC(F)(F)F)nc(Cl)nc2s1
InChIInChI=1S/C11H11ClF3N3OS/c1-6-4-7-8(16-10(12)17-9(7)20-6)18(2-3-19)5-11(13,14)15/h4,19H,2-3,5H2,1H3
InChIKeyPOFAPHJREBXSCW-UHFFFAOYSA-N
XLogP3.01
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 53.01
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-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The IUPAC name of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol (CID 107482198) is 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is Cc1cc2c(N(CCO)CC(F)(F)F)nc(Cl)nc2s1.
What is the InChIKey of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
The InChIKey is POFAPHJREBXSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClF3N3OS/c1-6-4-7-8(16-10(12)17-9(7)20-6)18(2-3-19)5-11(13,14)15/h4,19H,2-3,5H2,1H3.
What are the key properties of 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol?
2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol has a molecular weight of 325.74 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)-(2,2,2-trifluoroethyl)amino]ethanol is sourced from PubChem (CID 107482198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).