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

C25H26N4OS — CID 91965057

IUPAC2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)cc34)CC2)cc1
InChIInChI=1S/C25H26N4OS/c1-18-16-22-24(26-23(27-25(22)31-18)17-19-6-4-3-5-7-19)29-14-12-28(13-15-29)20-8-10-21(30-2)11-9-20/h3-11,16H,12-15,17H2,1-2H3
InChIKeyNRWOIYYWGPBCJM-UHFFFAOYSA-N
MW430.58 g/mol
LogP4.93
Rot. Bonds5

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

2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (PubChem CID 91965057) has the molecular formula C25H26N4OS and a molecular weight of 430.58 g/mol. Its IUPAC name is 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
PubChem CID91965057
Molecular FormulaC25H26N4OS
Molecular Weight430.58 g/mol
Exact Mass430.18
IUPAC Name2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine
SMILESCOc1ccc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)cc34)CC2)cc1
InChIInChI=1S/C25H26N4OS/c1-18-16-22-24(26-23(27-25(22)31-18)17-19-6-4-3-5-7-19)29-14-12-28(13-15-29)20-8-10-21(30-2)11-9-20/h3-11,16H,12-15,17H2,1-2H3
InChIKeyNRWOIYYWGPBCJM-UHFFFAOYSA-N
XLogP4.93
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.58
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[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

Related Compounds

4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
2-benzyl-6-ethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91964873
2-benzyl-4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methylthieno[2,3-d]pyrimidine
CID 91965067
2,6-dimethyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 4060720
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-benzyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6,7-dimethoxyquinazoline
CID 171988162
2-benzyl-6-ethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine
CID 91964847
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
2-[(3-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 61025987
4-(4-benzylpiperazin-1-yl)-6-methyl-2-phenylthieno[2,3-d]pyrimidine
CID 91965217
2-ethyl-6-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 50946840

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine (CID 91965057) is 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is COc1ccc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)cc34)CC2)cc1.
What is the InChIKey of 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
The InChIKey is NRWOIYYWGPBCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4OS/c1-18-16-22-24(26-23(27-25(22)31-18)17-19-6-4-3-5-7-19)29-14-12-28(13-15-29)20-8-10-21(30-2)11-9-20/h3-11,16H,12-15,17H2,1-2H3.
What are the key properties of 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine?
2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine has a molecular weight of 430.58 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91965057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).