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

C24H24N4O2S — CID 982612

IUPAC5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5OC)CC4)c23)cc1
InChIInChI=1S/C24H24N4O2S/c1-29-18-9-7-17(8-10-18)19-15-31-24-22(19)23(25-16-26-24)28-13-11-27(12-14-28)20-5-3-4-6-21(20)30-2/h3-10,15-16H,11-14H2,1-2H3
InChIKeyBGXBASVKZMVIMZ-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.70
Rot. Bonds5

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

5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (PubChem CID 982612) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
PubChem CID982612
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC Name5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine
SMILESCOc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5OC)CC4)c23)cc1
InChIInChI=1S/C24H24N4O2S/c1-29-18-9-7-17(8-10-18)19-15-31-24-22(19)23(25-16-26-24)28-13-11-27(12-14-28)20-5-3-4-6-21(20)30-2/h3-10,15-16H,11-14H2,1-2H3
InChIKeyBGXBASVKZMVIMZ-UHFFFAOYSA-N
XLogP4.70
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine (CID 982612) is 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5OC)CC4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
The InChIKey is BGXBASVKZMVIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-29-18-9-7-17(8-10-18)19-15-31-24-22(19)23(25-16-26-24)28-13-11-27(12-14-28)20-5-3-4-6-21(20)30-2/h3-10,15-16H,11-14H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine?
5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine has a molecular weight of 432.55 g/mol, XLogP of 4.70, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-4-[4-(2-methoxyphenyl)piperazin-1-yl]thieno[2,3-d]pyrimidine is sourced from PubChem (CID 982612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).