2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol

C18H21N3OS — CID 4963499

IUPAC2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H21N3OS/c1-2-3-9-21(10-11-22)17-15-12-16(14-7-5-4-6-8-14)23-18(15)20-13-19-17/h4-8,12-13,22H,2-3,9-11H2,1H3
InChIKeyQDKGDDOMFSSHDY-UHFFFAOYSA-N
MW327.45 g/mol
LogP3.96
Rot. Bonds7

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

2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 4963499) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
PubChem CID4963499
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
SMILESCCCCN(CCO)c1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C18H21N3OS/c1-2-3-9-21(10-11-22)17-15-12-16(14-7-5-4-6-8-14)23-18(15)20-13-19-17/h4-8,12-13,22H,2-3,9-11H2,1H3
InChIKeyQDKGDDOMFSSHDY-UHFFFAOYSA-N
XLogP3.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol (CID 4963499) is 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is CCCCN(CCO)c1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is QDKGDDOMFSSHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-2-3-9-21(10-11-22)17-15-12-16(14-7-5-4-6-8-14)23-18(15)20-13-19-17/h4-8,12-13,22H,2-3,9-11H2,1H3.
What are the key properties of 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol?
2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 327.45 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 4963499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).