4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

C24H24N4OS — CID 1189434

IUPAC4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1
InChIInChI=1S/C24H24N4OS/c1-29-20-9-7-19(8-10-20)21-16-30-24-22(21)23(25-17-26-24)28-13-11-27(12-14-28)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3
InChIKeyBOQRXNAAYVHGSM-UHFFFAOYSA-N
MW416.55 g/mol
LogP4.69
Rot. Bonds5

About 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine

4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (PubChem CID 1189434) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
PubChem CID1189434
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1
InChIInChI=1S/C24H24N4OS/c1-29-20-9-7-19(8-10-20)21-16-30-24-22(21)23(25-17-26-24)28-13-11-27(12-14-28)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3
InChIKeyBOQRXNAAYVHGSM-UHFFFAOYSA-N
XLogP4.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.55
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The IUPAC name of 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine (CID 1189434) is 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(N4CCN(Cc5ccccc5)CC4)c23)cc1.
What is the InChIKey of 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
The InChIKey is BOQRXNAAYVHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-29-20-9-7-19(8-10-20)21-16-30-24-22(21)23(25-17-26-24)28-13-11-27(12-14-28)15-18-5-3-2-4-6-18/h2-10,16-17H,11-15H2,1H3.
What are the key properties of 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine?
4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine has a molecular weight of 416.55 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperazin-1-yl)-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1189434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).