6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine

C23H22N4S — CID 141175166

IUPAC6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine
SMILESc1ccc(N2CCN(Cc3ccc(-c4cc5ncncc5s4)cc3)CC2)cc1
InChIInChI=1S/C23H22N4S/c1-2-4-20(5-3-1)27-12-10-26(11-13-27)16-18-6-8-19(9-7-18)22-14-21-23(28-22)15-24-17-25-21/h1-9,14-15,17H,10-13,16H2
InChIKeyBCVFLSWFWMVBRT-UHFFFAOYSA-N
MW386.52 g/mol
LogP4.68
Rot. Bonds4

About 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine

6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine (PubChem CID 141175166) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine
PubChem CID141175166
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine
SMILESc1ccc(N2CCN(Cc3ccc(-c4cc5ncncc5s4)cc3)CC2)cc1
InChIInChI=1S/C23H22N4S/c1-2-4-20(5-3-1)27-12-10-26(11-13-27)16-18-6-8-19(9-7-18)22-14-21-23(28-22)15-24-17-25-21/h1-9,14-15,17H,10-13,16H2
InChIKeyBCVFLSWFWMVBRT-UHFFFAOYSA-N
XLogP4.68
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(4-thieno[3,2-d]pyrimidin-6-ylphenyl)methyl]piperazin-1-yl]ethanol
CID 174692510
4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-6-phenylthieno[3,2-d]pyrimidine
CID 44523935
1-[[4-(fluoromethyl)phenyl]methyl]-4-phenylpiperazine
CID 11859050
4-phenyl-6-[4-(pyridin-4-ylmethyl)piperazin-1-yl]pyrimidine
CID 58273412
1-[[5-(4-fluorophenyl)-3-pyridinyl]methyl]-4-phenylpiperazine
CID 21186124
4-(4-benzylpiperazin-1-yl)-5-chloropyrimidine
CID 130167475
2-[4-(4-benzylpiperazin-1-yl)phenyl]-4-naphthalen-1-yl-5-phenyl-1,3-thiazole
CID 139802783
1-[(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 763918
1-[[4-(2-methylpropyl)phenyl]methyl]-4-phenylpiperazine
CID 174263891
4-[(4-phenylpiperazin-1-yl)methyl]benzene-1,2-diol
CID 118737764
5-[(4-phenylpiperazin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79015163
1-benzyl-4-[4-(bromomethyl)phenyl]piperazine
CID 107079129

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine?
The IUPAC name of 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine (CID 141175166) is 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine.
What is the SMILES notation for 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine?
The canonical SMILES for 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine is c1ccc(N2CCN(Cc3ccc(-c4cc5ncncc5s4)cc3)CC2)cc1.
What is the InChIKey of 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine?
The InChIKey is BCVFLSWFWMVBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-2-4-20(5-3-1)27-12-10-26(11-13-27)16-18-6-8-19(9-7-18)22-14-21-23(28-22)15-24-17-25-21/h1-9,14-15,17H,10-13,16H2.
What are the key properties of 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine?
6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine has a molecular weight of 386.52 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(4-phenylpiperazin-1-yl)methyl]phenyl]thieno[3,2-d]pyrimidine is sourced from PubChem (CID 141175166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).