2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C21H18ClN3OS — CID 91964960

IUPAC2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1Cl
InChIInChI=1S/C21H18ClN3OS/c1-13-10-16-20(23-15-8-9-18(26-2)17(22)12-15)24-19(25-21(16)27-13)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,25)
InChIKeyGAOUYJFFTXQJRB-UHFFFAOYSA-N
MW395.92 g/mol
LogP6.00
Rot. Bonds5

About 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 91964960) has the molecular formula C21H18ClN3OS and a molecular weight of 395.92 g/mol. Its IUPAC name is 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID91964960
Molecular FormulaC21H18ClN3OS
Molecular Weight395.92 g/mol
Exact Mass395.09
IUPAC Name2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1Cl
InChIInChI=1S/C21H18ClN3OS/c1-13-10-16-20(23-15-8-9-18(26-2)17(22)12-15)24-19(25-21(16)27-13)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,25)
InChIKeyGAOUYJFFTXQJRB-UHFFFAOYSA-N
XLogP6.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.92
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[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-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964928
4-[(2-benzyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzoic acid
CID 91964940
2-benzyl-N-(2,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91964948
N-(3-chloro-4-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71691013
2-benzyl-N-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 91965004
2-benzyl-N-(4-chlorophenyl)-6-ethylthieno[2,3-d]pyrimidin-4-amine
CID 91964737
N-(3-chloro-4-methoxyphenyl)-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965444
2-benzyl-N-(5-chloro-2,4-dimethoxyphenyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 4197473
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
[2-[(4-methoxyphenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 63619091
2-benzyl-6-methyl-N-(pyridin-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964996
4-[(2-benzyl-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 91964744

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 91964960) is 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2nc(Cc3ccccc3)nc3sc(C)cc23)cc1Cl.
What is the InChIKey of 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is GAOUYJFFTXQJRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3OS/c1-13-10-16-20(23-15-8-9-18(26-2)17(22)12-15)24-19(25-21(16)27-13)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3,(H,23,24,25).
What are the key properties of 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 395.92 g/mol, XLogP of 6.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-(3-chloro-4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 91964960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).