2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

C21H26N4OS — CID 28848470

IUPAC2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCc1ccc(-c2csc3nc(C)nc(N4CCN(CCO)CC4)c23)cc1
InChIInChI=1S/C21H26N4OS/c1-3-16-4-6-17(7-5-16)18-14-27-21-19(18)20(22-15(2)23-21)25-10-8-24(9-11-25)12-13-26/h4-7,14,26H,3,8-13H2,1-2H3
InChIKeyQEBVHYBDIDKSTP-UHFFFAOYSA-N
MW382.53 g/mol
LogP3.34
Rot. Bonds5

About 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol

2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 28848470) has the molecular formula C21H26N4OS and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID28848470
Molecular FormulaC21H26N4OS
Molecular Weight382.53 g/mol
Exact Mass382.18
IUPAC Name2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCCc1ccc(-c2csc3nc(C)nc(N4CCN(CCO)CC4)c23)cc1
InChIInChI=1S/C21H26N4OS/c1-3-16-4-6-17(7-5-16)18-14-27-21-19(18)20(22-15(2)23-21)25-10-8-24(9-11-25)12-13-26/h4-7,14,26H,3,8-13H2,1-2H3
InChIKeyQEBVHYBDIDKSTP-UHFFFAOYSA-N
XLogP3.34
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

2-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 9207878
2-methyl-5-phenyl-4-(4-propylpiperazin-4-ium-1-yl)thieno[2,3-d]pyrimidine
CID 7874202
2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 6484478
[(3S)-1-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 9311243
5-phenyl-4-(4-propylpiperazin-1-yl)-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 9195115
N'-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]ethane-1,2-diamine
CID 28852901
2-[4-(2-methyl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 9116509
4-(4-ethylpiperazin-1-yl)-2-methyl-5-(2-methylpropyl)thieno[2,3-d]pyrimidine
CID 55824437
5-(3,4-dimethoxyphenyl)-2-methyl-4-(4-methylpiperidin-1-yl)thieno[2,3-d]pyrimidine
CID 2460969
1-[4-[4-[5-(3,4-dimethoxyphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]phenyl]ethanone
CID 4882649
(3S)-3-[4-(2-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]thiolane 1,1-dioxide
CID 40798532
2-[4-(2,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110430461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 28848470) is 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is CCc1ccc(-c2csc3nc(C)nc(N4CCN(CCO)CC4)c23)cc1.
What is the InChIKey of 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is QEBVHYBDIDKSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4OS/c1-3-16-4-6-17(7-5-16)18-14-27-21-19(18)20(22-15(2)23-21)25-10-8-24(9-11-25)12-13-26/h4-7,14,26H,3,8-13H2,1-2H3.
What are the key properties of 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 382.53 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-ethylphenyl)-2-methylthieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 28848470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).