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

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
4-(4-(5,5-Dimethyl-4,5-dihydrothiazol-2-yl)piperazin-1-yl)-6-propylthieno[2,3-d]pyrimidine
CID 54765302
[(1S)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
CID 90185749
N,N-diethyl-N'-[5-(4-fluorophenyl)thieno[2,3-d]pyrimidin-4-yl]propane-1,3-diamine
CID 1608673
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
[1-(5-Phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 4540225
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987
({[6-(4-Methylphenyl)thieno[2,3-D]pyrimidin-4-Yl]amino}methyl)phosphonic Acid
CID 74766013
[(1R)-1-{[6-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}-2-phenylethyl]phosphonic acid
CID 90185767
3-(6-Phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpropanoic acid
CID 1277376

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).