N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

C20H26N4S — CID 91964658

IUPACN-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1sc2nc(Cc3ccccc3)nc(NCCCN(C)C)c2c1C
InChIInChI=1S/C20H26N4S/c1-14-15(2)25-20-18(14)19(21-11-8-12-24(3)4)22-17(23-20)13-16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H,21,22,23)
InChIKeyOPNXWTWHOXMEQS-UHFFFAOYSA-N
MW354.52 g/mol
LogP4.26
Rot. Bonds7

About N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine

N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 91964658) has the molecular formula C20H26N4S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID91964658
Molecular FormulaC20H26N4S
Molecular Weight354.52 g/mol
Exact Mass354.19
IUPAC NameN-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
SMILESCc1sc2nc(Cc3ccccc3)nc(NCCCN(C)C)c2c1C
InChIInChI=1S/C20H26N4S/c1-14-15(2)25-20-18(14)19(21-11-8-12-24(3)4)22-17(23-20)13-16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H,21,22,23)
InChIKeyOPNXWTWHOXMEQS-UHFFFAOYSA-N
XLogP4.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine 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 N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine (CID 91964658) is N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is Cc1sc2nc(Cc3ccccc3)nc(NCCCN(C)C)c2c1C.
What is the InChIKey of N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is OPNXWTWHOXMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4S/c1-14-15(2)25-20-18(14)19(21-11-8-12-24(3)4)22-17(23-20)13-16-9-6-5-7-10-16/h5-7,9-10H,8,11-13H2,1-4H3,(H,21,22,23).
What are the key properties of N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine?
N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 354.52 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 91964658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).