4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine

C24H24N4OS — CID 982534

IUPAC4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3sc(C)c(-c4ccccc4)c23)CC1
InChIInChI=1S/C24H24N4OS/c1-17-21(18-8-4-3-5-9-18)22-23(25-16-26-24(22)30-17)28-14-12-27(13-15-28)19-10-6-7-11-20(19)29-2/h3-11,16H,12-15H2,1-2H3
InChIKeyKHJGBZCWPJTIPV-UHFFFAOYSA-N
MW416.55 g/mol
LogP5.00
Rot. Bonds4

About 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine

4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine (PubChem CID 982534) has the molecular formula C24H24N4OS and a molecular weight of 416.55 g/mol. Its IUPAC name is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine
PubChem CID982534
Molecular FormulaC24H24N4OS
Molecular Weight416.55 g/mol
Exact Mass416.17
IUPAC Name4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine
SMILESCOc1ccccc1N1CCN(c2ncnc3sc(C)c(-c4ccccc4)c23)CC1
InChIInChI=1S/C24H24N4OS/c1-17-21(18-8-4-3-5-9-18)22-23(25-16-26-24(22)30-17)28-14-12-27(13-15-28)19-10-6-7-11-20(19)29-2/h3-11,16H,12-15H2,1-2H3
InChIKeyKHJGBZCWPJTIPV-UHFFFAOYSA-N
XLogP5.00
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The IUPAC name of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine (CID 982534) is 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The canonical SMILES for 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine is COc1ccccc1N1CCN(c2ncnc3sc(C)c(-c4ccccc4)c23)CC1.
What is the InChIKey of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
The InChIKey is KHJGBZCWPJTIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4OS/c1-17-21(18-8-4-3-5-9-18)22-23(25-16-26-24(22)30-17)28-14-12-27(13-15-28)19-10-6-7-11-20(19)29-2/h3-11,16H,12-15H2,1-2H3.
What are the key properties of 4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine?
4-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methyl-5-phenylthieno[2,3-d]pyrimidine has a molecular weight of 416.55 g/mol, XLogP of 5.00, 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-methyl-5-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 982534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).