5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C21H18ClN5S — CID 1325173

IUPAC5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1
InChIInChI=1S/C21H18ClN5S/c22-16-6-4-15(5-7-16)17-13-28-21-19(17)20(24-14-25-21)27-11-9-26(10-12-27)18-3-1-2-8-23-18/h1-8,13-14H,9-12H2
InChIKeyVCDAZAJYVBSBCN-UHFFFAOYSA-N
MW407.93 g/mol
LogP4.73
Rot. Bonds3

About 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine

5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 1325173) has the molecular formula C21H18ClN5S and a molecular weight of 407.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID1325173
Molecular FormulaC21H18ClN5S
Molecular Weight407.93 g/mol
Exact Mass407.10
IUPAC Name5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESClc1ccc(-c2csc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1
InChIInChI=1S/C21H18ClN5S/c22-16-6-4-15(5-7-16)17-13-28-21-19(17)20(24-14-25-21)27-11-9-26(10-12-27)18-3-1-2-8-23-18/h1-8,13-14H,9-12H2
InChIKeyVCDAZAJYVBSBCN-UHFFFAOYSA-N
XLogP4.73
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.93
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4-benzylpiperazin-1-yl)-5-(4-chlorophenyl)thieno[2,3-d]pyrimidine
CID 16553301
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 55680748
4-(azepan-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 758218
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 1186225
5-(4-chlorophenyl)-4-pyridin-2-ylthieno[2,3-d]pyrimidine
CID 67382265
5-phenyl-4-piperazin-4-ium-1-ylthieno[2,3-d]pyrimidine
CID 6922306
5-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 16553323
4-[4-(3,4-dichlorophenyl)sulfonylpiperazin-1-yl]-5-phenylthieno[2,3-d]pyrimidine
CID 23913167
5-(4-chlorophenyl)-4-[3-methyl-4-(3-methylphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
CID 20964589
4-(4-methylpiperidin-1-yl)-5-phenylthieno[2,3-d]pyrimidine
CID 675438
4-[5-(3-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]morpholine
CID 166626749
5-(4-chlorophenyl)-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18204073

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 1325173) is 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Clc1ccc(-c2csc3ncnc(N4CCN(c5ccccn5)CC4)c23)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is VCDAZAJYVBSBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5S/c22-16-6-4-15(5-7-16)17-13-28-21-19(17)20(24-14-25-21)27-11-9-26(10-12-27)18-3-1-2-8-23-18/h1-8,13-14H,9-12H2.
What are the key properties of 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 407.93 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1325173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).