5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine

C23H22N4S — CID 1186225

IUPAC5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1
InChIInChI=1S/C23H22N4S/c1-17-7-9-18(10-8-17)20-15-28-23-21(20)22(24-16-25-23)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3
InChIKeyFJFICUVNGPITJP-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.99
Rot. Bonds3

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

5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (PubChem CID 1186225) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
PubChem CID1186225
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
SMILESCc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1
InChIInChI=1S/C23H22N4S/c1-17-7-9-18(10-8-17)20-15-28-23-21(20)22(24-16-25-23)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3
InChIKeyFJFICUVNGPITJP-UHFFFAOYSA-N
XLogP4.99
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The IUPAC name of 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine (CID 1186225) is 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine.
What is the SMILES notation for 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The canonical SMILES for 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is Cc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
The InChIKey is FJFICUVNGPITJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-17-7-9-18(10-8-17)20-15-28-23-21(20)22(24-16-25-23)27-13-11-26(12-14-27)19-5-3-2-4-6-19/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine?
5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine has a molecular weight of 386.52 g/mol, XLogP of 4.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine is sourced from PubChem (CID 1186225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).