(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol

C18H20N4OS — CID 95318735

IUPAC(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
SMILESO[C@@H](CN1CCN(c2ncnc3sccc23)CC1)c1ccccc1
InChIInChI=1S/C18H20N4OS/c23-16(14-4-2-1-3-5-14)12-21-7-9-22(10-8-21)17-15-6-11-24-18(15)20-13-19-17/h1-6,11,13,16,23H,7-10,12H2/t16-/m0/s1
InChIKeyNYLZUACUKZZZAZ-INIZCTEOSA-N
MW340.45 g/mol
LogP2.55
Rot. Bonds4

About (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol

(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol (PubChem CID 95318735) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
PubChem CID95318735
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol
SMILESO[C@@H](CN1CCN(c2ncnc3sccc23)CC1)c1ccccc1
InChIInChI=1S/C18H20N4OS/c23-16(14-4-2-1-3-5-14)12-21-7-9-22(10-8-21)17-15-6-11-24-18(15)20-13-19-17/h1-6,11,13,16,23H,7-10,12H2/t16-/m0/s1
InChIKeyNYLZUACUKZZZAZ-INIZCTEOSA-N
XLogP2.55
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)thieno[2,3-d]pyrimidine
CID 157019262
4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 163343513
2-(4-thieno[2,3-d]pyrimidin-4-yl-1,4-diazepan-1-yl)ethanol
CID 63309935
N,2-diphenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78847132
2-amino-3-phenyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)propan-1-one;dihydrochloride
CID 119842585
bis(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)methanone
CID 174973437
4-(4-benzylsulfonylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 9109711
2-(2-chlorophenyl)sulfanyl-1-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanone
CID 112814510
4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 155942506
5-(4-thieno[2,3-d]pyrimidin-4-ylpiperazine-1-carbonyl)pyrazine-2-carboxylic acid
CID 120684892
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
N-(1-naphthalen-1-ylethyl)-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)acetamide
CID 78848753

Frequently Asked Questions

What is the IUPAC name of (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
The IUPAC name of (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol (CID 95318735) is (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol.
What is the SMILES notation for (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
The canonical SMILES for (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol is O[C@@H](CN1CCN(c2ncnc3sccc23)CC1)c1ccccc1.
What is the InChIKey of (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
The InChIKey is NYLZUACUKZZZAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N4OS/c23-16(14-4-2-1-3-5-14)12-21-7-9-22(10-8-21)17-15-6-11-24-18(15)20-13-19-17/h1-6,11,13,16,23H,7-10,12H2/t16-/m0/s1.
What are the key properties of (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol?
(1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol has a molecular weight of 340.45 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-phenyl-2-(4-thieno[2,3-d]pyrimidin-4-ylpiperazin-1-yl)ethanol is sourced from PubChem (CID 95318735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).