2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C24H25N3OS — CID 91964678

IUPAC2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C24H25N3OS/c1-16-17(2)29-24-22(16)23(25-13-12-19-10-7-11-20(14-19)28-3)26-21(27-24)15-18-8-5-4-6-9-18/h4-11,14H,12-13,15H2,1-3H3,(H,25,26,27)
InChIKeyMUDKXLQZBVSNLZ-UHFFFAOYSA-N
MW403.55 g/mol
LogP5.56
Rot. Bonds7

About 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964678) has the molecular formula C24H25N3OS and a molecular weight of 403.55 g/mol. Its IUPAC name is 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964678
Molecular FormulaC24H25N3OS
Molecular Weight403.55 g/mol
Exact Mass403.17
IUPAC Name2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1cccc(CCNc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)c1
InChIInChI=1S/C24H25N3OS/c1-16-17(2)29-24-22(16)23(25-13-12-19-10-7-11-20(14-19)28-3)26-21(27-24)15-18-8-5-4-6-9-18/h4-11,14H,12-13,15H2,1-3H3,(H,25,26,27)
InChIKeyMUDKXLQZBVSNLZ-UHFFFAOYSA-N
XLogP5.56
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.55
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine 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-N-[(4-methoxyphenyl)methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964672
N-[(3-methoxyphenyl)methyl]-5,6-dimethyl-2-[(1-phenylethylamino)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 126537715
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 91964658
6-[(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 91964727
2-benzyl-5,6-dimethyl-N-prop-2-enylthieno[2,3-d]pyrimidin-4-amine
CID 91964684
N-[(2-fluorophenyl)methyl]-2-[[(3-methoxyphenyl)methyl-methylamino]methyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 153457288
2-benzyl-5,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 91964645
2-benzyl-5,6-dimethyl-N-(thiophen-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964664
2-benzyl-N-(2,5-dimethylphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964637
2-benzyl-N-(5-chloro-2,4-dimethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4197473
5,6-dimethyl-N-(2-phenylethyl)-2-pyrazin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460352
2-benzyl-N-(4-bromophenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91964603

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 91964678) is 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is COc1cccc(CCNc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)c1.
What is the InChIKey of 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MUDKXLQZBVSNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3OS/c1-16-17(2)29-24-22(16)23(25-13-12-19-10-7-11-20(14-19)28-3)26-21(27-24)15-18-8-5-4-6-9-18/h4-11,14H,12-13,15H2,1-3H3,(H,25,26,27).
What are the key properties of 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 403.55 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[2-(3-methoxyphenyl)ethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).