2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol

C19H22N4OS — CID 174692510

IUPAC2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(-c3cc4ncncc4s3)cc2)CC1
InChIInChI=1S/C19H22N4OS/c24-10-9-22-5-7-23(8-6-22)13-15-1-3-16(4-2-15)18-11-17-19(25-18)12-20-14-21-17/h1-4,11-12,14,24H,5-10,13H2
InChIKeyOWUXQONCZNHXOM-UHFFFAOYSA-N
MW354.48 g/mol
LogP2.47
Rot. Bonds5

About 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol

2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol (PubChem CID 174692510) has the molecular formula C19H22N4OS and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol
PubChem CID174692510
Molecular FormulaC19H22N4OS
Molecular Weight354.48 g/mol
Exact Mass354.15
IUPAC Name2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol
SMILESOCCN1CCN(Cc2ccc(-c3cc4ncncc4s3)cc2)CC1
InChIInChI=1S/C19H22N4OS/c24-10-9-22-5-7-23(8-6-22)13-15-1-3-16(4-2-15)18-11-17-19(25-18)12-20-14-21-17/h1-4,11-12,14,24H,5-10,13H2
InChIKeyOWUXQONCZNHXOM-UHFFFAOYSA-N
XLogP2.47
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine
CID 141175166
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
2-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 780027
2-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thieno[3,2-b]pyridin-7-amine
CID 89438907
2-[4-[[4-(2-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 18798287
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
CID 44523935
3-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenol
CID 82187897
2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]phenyl]acetonitrile
CID 82135676
2-[4-[(3,4-diaminophenyl)methyl]piperazin-1-yl]ethanol
CID 82183767
2-[4-[[4-(aminooxymethyl)phenyl]methyl]piperazin-1-yl]ethanol
CID 67132134
2-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethanol
CID 2842776
2-[4-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]piperazin-1-yl]ethanol
CID 110888313

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol (CID 174692510) is 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol is OCCN1CCN(Cc2ccc(-c3cc4ncncc4s3)cc2)CC1.
What is the InChIKey of 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is OWUXQONCZNHXOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS/c24-10-9-22-5-7-23(8-6-22)13-15-1-3-16(4-2-15)18-11-17-19(25-18)12-20-14-21-17/h1-4,11-12,14,24H,5-10,13H2.
What are the key properties of 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 354.48 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 174692510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).