2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

C25H28N6S — CID 91964710

IUPAC2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)c(C)c34)CC2)n1
InChIInChI=1S/C25H28N6S/c1-16-14-17(2)27-25(26-16)31-12-10-30(11-13-31)23-22-18(3)19(4)32-24(22)29-21(28-23)15-20-8-6-5-7-9-20/h5-9,14H,10-13,15H2,1-4H3
InChIKeyKWJJMHFHRVTDPN-UHFFFAOYSA-N
MW444.61 g/mol
LogP4.63
Rot. Bonds4

About 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine

2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (PubChem CID 91964710) has the molecular formula C25H28N6S and a molecular weight of 444.61 g/mol. Its IUPAC name is 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.

Molecular Properties

Compound Name2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
PubChem CID91964710
Molecular FormulaC25H28N6S
Molecular Weight444.61 g/mol
Exact Mass444.21
IUPAC Name2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine
SMILESCc1cc(C)nc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)c(C)c34)CC2)n1
InChIInChI=1S/C25H28N6S/c1-16-14-17(2)27-25(26-16)31-12-10-30(11-13-31)23-22-18(3)19(4)32-24(22)29-21(28-23)15-20-8-6-5-7-9-20/h5-9,14H,10-13,15H2,1-4H3
InChIKeyKWJJMHFHRVTDPN-UHFFFAOYSA-N
XLogP4.63
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.61
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[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

2-benzyl-5,6-dimethyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine
CID 4083738
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-(3-chlorophenyl)piperazine-1-carbothioamide
CID 3212873
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-cyclohexylpiperazine-1-carboxamide
CID 42799948
2-benzyl-6-isocyano-5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 58727444
4-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N-[3-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 42799949
2-chloro-1-[4-[5,6-dimethyl-2-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 42799722
N-[[5,6-dimethyl-4-(4-pyridin-2-ylpiperazin-1-yl)thieno[2,3-d]pyrimidin-2-yl]methyl]-N-ethylethanamine
CID 9311061
4-(4-ethylpiperazin-4-ium-1-yl)-5,6-dimethyl-2-(phenylsulfanylmethyl)thieno[2,3-d]pyrimidine
CID 9211428
2-benzyl-6-methyl-4-(4-propylpiperazin-1-yl)thieno[2,3-d]pyrimidine
CID 91965038
4-(azepan-1-yl)-2-benzyl-6-methylthieno[2,3-d]pyrimidine
CID 91965066
4-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-5,6-dimethyl-2-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine
CID 133274015
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The IUPAC name of 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine (CID 91964710) is 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine.
What is the SMILES notation for 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The canonical SMILES for 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is Cc1cc(C)nc(N2CCN(c3nc(Cc4ccccc4)nc4sc(C)c(C)c34)CC2)n1.
What is the InChIKey of 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
The InChIKey is KWJJMHFHRVTDPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6S/c1-16-14-17(2)27-25(26-16)31-12-10-30(11-13-31)23-22-18(3)19(4)32-24(22)29-21(28-23)15-20-8-6-5-7-9-20/h5-9,14H,10-13,15H2,1-4H3.
What are the key properties of 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine?
2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine has a molecular weight of 444.61 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-5,6-dimethylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 91964710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).