5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

C19H16N4OS — CID 2122255

IUPAC5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1
InChIInChI=1S/C19H16N4OS/c1-24-15-6-4-14(5-7-15)16-11-25-19-17(16)18(22-12-23-19)21-10-13-3-2-8-20-9-13/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyIKLKRZNNBRANIY-UHFFFAOYSA-N
MW348.43 g/mol
LogP4.37
Rot. Bonds5

About 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine

5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2122255) has the molecular formula C19H16N4OS and a molecular weight of 348.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID2122255
Molecular FormulaC19H16N4OS
Molecular Weight348.43 g/mol
Exact Mass348.10
IUPAC Name5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1
InChIInChI=1S/C19H16N4OS/c1-24-15-6-4-14(5-7-15)16-11-25-19-17(16)18(22-12-23-19)21-10-13-3-2-8-20-9-13/h2-9,11-12H,10H2,1H3,(H,21,22,23)
InChIKeyIKLKRZNNBRANIY-UHFFFAOYSA-N
XLogP4.37
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-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 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine (CID 2122255) is 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is COc1ccc(-c2csc3ncnc(NCc4cccnc4)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IKLKRZNNBRANIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4OS/c1-24-15-6-4-14(5-7-15)16-11-25-19-17(16)18(22-12-23-19)21-10-13-3-2-8-20-9-13/h2-9,11-12H,10H2,1H3,(H,21,22,23).
What are the key properties of 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 348.43 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2122255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).