4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine

C21H20N4S — CID 44530169

IUPAC4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESC[C@@H](Nc1nc(NCc2ccccc2)c2sccc2n1)c1ccccc1
InChIInChI=1S/C21H20N4S/c1-15(17-10-6-3-7-11-17)23-21-24-18-12-13-26-19(18)20(25-21)22-14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,22,23,24,25)/t15-/m1/s1
InChIKeyFIZIJTHWADSUBV-OAHLLOKOSA-N
MW360.49 g/mol
LogP5.48
Rot. Bonds6

About 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine

4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 44530169) has the molecular formula C21H20N4S and a molecular weight of 360.49 g/mol. Its IUPAC name is 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID44530169
Molecular FormulaC21H20N4S
Molecular Weight360.49 g/mol
Exact Mass360.14
IUPAC Name4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine
SMILESC[C@@H](Nc1nc(NCc2ccccc2)c2sccc2n1)c1ccccc1
InChIInChI=1S/C21H20N4S/c1-15(17-10-6-3-7-11-17)23-21-24-18-12-13-26-19(18)20(25-21)22-14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,22,23,24,25)/t15-/m1/s1
InChIKeyFIZIJTHWADSUBV-OAHLLOKOSA-N
XLogP5.48
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.49
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-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 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine (CID 44530169) is 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine is C[C@@H](Nc1nc(NCc2ccccc2)c2sccc2n1)c1ccccc1.
What is the InChIKey of 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is FIZIJTHWADSUBV-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H20N4S/c1-15(17-10-6-3-7-11-17)23-21-24-18-12-13-26-19(18)20(25-21)22-14-16-8-4-2-5-9-16/h2-13,15H,14H2,1H3,(H2,22,23,24,25)/t15-/m1/s1.
What are the key properties of 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine?
4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 360.49 g/mol, XLogP of 5.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-benzyl-2-N-[(1R)-1-phenylethyl]thieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44530169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).