N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine

C26H23N3OS — CID 143741193

IUPACN-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCOc1ccc(CNc2ncnc3cc(-c4ccc5ccccc5c4)sc23)cc1C
InChIInChI=1S/C26H23N3OS/c1-3-30-23-11-8-18(12-17(23)2)15-27-26-25-22(28-16-29-26)14-24(31-25)21-10-9-19-6-4-5-7-20(19)13-21/h4-14,16H,3,15H2,1-2H3,(H,27,28,29)
InChIKeyDCKQSGVKPYAXSX-UHFFFAOYSA-N
MW425.56 g/mol
LogP6.83
Rot. Bonds6

About N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine

N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 143741193) has the molecular formula C26H23N3OS and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID143741193
Molecular FormulaC26H23N3OS
Molecular Weight425.56 g/mol
Exact Mass425.16
IUPAC NameN-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCCOc1ccc(CNc2ncnc3cc(-c4ccc5ccccc5c4)sc23)cc1C
InChIInChI=1S/C26H23N3OS/c1-3-30-23-11-8-18(12-17(23)2)15-27-26-25-22(28-16-29-26)14-24(31-25)21-10-9-19-6-4-5-7-20(19)13-21/h4-14,16H,3,15H2,1-2H3,(H,27,28,29)
InChIKeyDCKQSGVKPYAXSX-UHFFFAOYSA-N
XLogP6.83
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.56
LogP ≤ 56.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-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

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine (CID 143741193) is N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine is CCOc1ccc(CNc2ncnc3cc(-c4ccc5ccccc5c4)sc23)cc1C.
What is the InChIKey of N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is DCKQSGVKPYAXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS/c1-3-30-23-11-8-18(12-17(23)2)15-27-26-25-22(28-16-29-26)14-24(31-25)21-10-9-19-6-4-5-7-20(19)13-21/h4-14,16H,3,15H2,1-2H3,(H,27,28,29).
What are the key properties of N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine?
N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 425.56 g/mol, XLogP of 6.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxy-3-methylphenyl)methyl]-6-naphthalen-2-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 143741193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).