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

C19H22N4O2S — CID 2082614

IUPAC2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(CCO)CC4)c23)cc1
InChIInChI=1S/C19H22N4O2S/c1-25-15-4-2-14(3-5-15)16-12-26-19-17(16)18(20-13-21-19)23-8-6-22(7-9-23)10-11-24/h2-5,12-13,24H,6-11H2,1H3
InChIKeyUDEDROSKQVBQSF-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.48
Rot. Bonds5

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

2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (PubChem CID 2082614) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
PubChem CID2082614
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(CCO)CC4)c23)cc1
InChIInChI=1S/C19H22N4O2S/c1-25-15-4-2-14(3-5-15)16-12-26-19-17(16)18(20-13-21-19)23-8-6-22(7-9-23)10-11-24/h2-5,12-13,24H,6-11H2,1H3
InChIKeyUDEDROSKQVBQSF-UHFFFAOYSA-N
XLogP2.48
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-Chloro-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 708734
5,6-Dimethyl-4-[4-[2-(4-methylphenoxy)ethyl]piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 1999904
2-Ethyl-4-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
CID 24936885
(2S)-2-[[6-(2-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 78319175
N-[(4-methoxyphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 2457693
5-[2-(2,5-Dimethoxyphenyl)ethyl]thieno[2,3-D]pyrimidine-2,4-Diamine
CID 457378
(2S)-2-[[6-(2,6-dimethoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 127026080
2-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}ethanol
CID 1946404
3-{[5-(4-Methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]amino}propan-1-ol
CID 1948833
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 2401215
1-(3,4-dimethoxyphenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-ylethane-1,2-diamine
CID 4797534
4-[4-(3-Fluoro-4-methoxybenzyl)piperazin-1-yl]-6-methyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 3801413

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol (CID 2082614) is 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is COc1ccc(-c2csc3ncnc(N4CCN(CCO)CC4)c23)cc1.
What is the InChIKey of 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
The InChIKey is UDEDROSKQVBQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-25-15-4-2-14(3-5-15)16-12-26-19-17(16)18(20-13-21-19)23-8-6-22(7-9-23)10-11-24/h2-5,12-13,24H,6-11H2,1H3.
What are the key properties of 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol?
2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol has a molecular weight of 370.48 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2082614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).