4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

C17H20N4OS — CID 46948274

IUPAC4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NC(C)C)nc2ccsc12
InChIInChI=1S/C17H20N4OS/c1-11(2)19-17-20-13-8-9-23-15(13)16(21-17)18-10-12-6-4-5-7-14(12)22-3/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyQSBMIFUOPLNQNA-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.13
Rot. Bonds6

About 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine

4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 46948274) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID46948274
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESCOc1ccccc1CNc1nc(NC(C)C)nc2ccsc12
InChIInChI=1S/C17H20N4OS/c1-11(2)19-17-20-13-8-9-23-15(13)16(21-17)18-10-12-6-4-5-7-14(12)22-3/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21)
InChIKeyQSBMIFUOPLNQNA-UHFFFAOYSA-N
XLogP4.13
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[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-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 46948274) is 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is COc1ccccc1CNc1nc(NC(C)C)nc2ccsc12.
What is the InChIKey of 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is QSBMIFUOPLNQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-11(2)19-17-20-13-8-9-23-15(13)16(21-17)18-10-12-6-4-5-7-14(12)22-3/h4-9,11H,10H2,1-3H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine?
4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 328.44 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2-methoxyphenyl)methyl]-2-N-propan-2-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 46948274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).