4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine

C23H22N4S — CID 46948463

IUPAC4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1ccc(CNc2nc(NCC3CC3)nc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C23H22N4S/c1-3-7-16(8-4-1)14-24-22-21-19(26-23(27-22)25-15-17-11-12-17)13-20(28-21)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2,(H2,24,25,26,27)
InChIKeyGEHMWAYTWCJKFB-UHFFFAOYSA-N
MW386.52 g/mol
LogP5.79
Rot. Bonds7

About 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine

4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46948463) has the molecular formula C23H22N4S and a molecular weight of 386.52 g/mol. Its IUPAC name is 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46948463
Molecular FormulaC23H22N4S
Molecular Weight386.52 g/mol
Exact Mass386.16
IUPAC Name4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESc1ccc(CNc2nc(NCC3CC3)nc3cc(-c4ccccc4)sc23)cc1
InChIInChI=1S/C23H22N4S/c1-3-7-16(8-4-1)14-24-22-21-19(26-23(27-22)25-15-17-11-12-17)13-20(28-21)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2,(H2,24,25,26,27)
InChIKeyGEHMWAYTWCJKFB-UHFFFAOYSA-N
XLogP5.79
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.52
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[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-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine (CID 46948463) is 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine is c1ccc(CNc2nc(NCC3CC3)nc3cc(-c4ccccc4)sc23)cc1.
What is the InChIKey of 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is GEHMWAYTWCJKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4S/c1-3-7-16(8-4-1)14-24-22-21-19(26-23(27-22)25-15-17-11-12-17)13-20(28-21)18-9-5-2-6-10-18/h1-10,13,17H,11-12,14-15H2,(H2,24,25,26,27).
What are the key properties of 4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-benzyl-2-N-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 386.52 g/mol, XLogP of 5.79, 7 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-(cyclopropylmethyl)-6-phenylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46948463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).