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

C18H21N3OS — CID 28848532

IUPAC2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nc(N(CCO)Cc2ccccc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H21N3OS/c1-12-13(2)23-18-16(12)17(19-14(3)20-18)21(9-10-22)11-15-7-5-4-6-8-15/h4-8,22H,9-11H2,1-3H3
InChIKeyPJBYGVSPPXSJQE-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.62
Rot. Bonds5

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

2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 28848532) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID28848532
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCc1nc(N(CCO)Cc2ccccc2)c2c(C)c(C)sc2n1
InChIInChI=1S/C18H21N3OS/c1-12-13(2)23-18-16(12)17(19-14(3)20-18)21(9-10-22)11-15-7-5-4-6-8-15/h4-8,22H,9-11H2,1-3H3
InChIKeyPJBYGVSPPXSJQE-UHFFFAOYSA-N
XLogP3.62
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 28848532) is 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is Cc1nc(N(CCO)Cc2ccccc2)c2c(C)c(C)sc2n1.
What is the InChIKey of 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is PJBYGVSPPXSJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-12-13(2)23-18-16(12)17(19-14(3)20-18)21(9-10-22)11-15-7-5-4-6-8-15/h4-8,22H,9-11H2,1-3H3.
What are the key properties of 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 327.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 28848532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).