4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine

C23H22N4OS — CID 982582

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H22N4OS/c1-28-20-10-6-5-9-19(20)26-11-13-27(14-12-26)22-18-15-21(17-7-3-2-4-8-17)29-23(18)25-16-24-22/h2-10,15-16H,11-14H2,1H3
InChIKeyVUPGVMHWDMZTJI-UHFFFAOYSA-N
MW402.52 g/mol
LogP4.69
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine (PubChem CID 982582) has the molecular formula C23H22N4OS and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine
PubChem CID982582
Molecular FormulaC23H22N4OS
Molecular Weight402.52 g/mol
Exact Mass402.15
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1
InChIInChI=1S/C23H22N4OS/c1-28-20-10-6-5-9-19(20)26-11-13-27(14-12-26)22-18-15-21(17-7-3-2-4-8-17)29-23(18)25-16-24-22/h2-10,15-16H,11-14H2,1H3
InChIKeyVUPGVMHWDMZTJI-UHFFFAOYSA-N
XLogP4.69
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
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-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine (CID 982582) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3sc(-c4ccccc4)cc23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
The InChIKey is VUPGVMHWDMZTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4OS/c1-28-20-10-6-5-9-19(20)26-11-13-27(14-12-26)22-18-15-21(17-7-3-2-4-8-17)29-23(18)25-16-24-22/h2-10,15-16H,11-14H2,1H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine has a molecular weight of 402.52 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 982582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).