2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine

C13H11N3OS — CID 62195126

IUPAC2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccccc2)nc2sccc12
InChIInChI=1S/C13H11N3OS/c14-12-10-6-7-18-13(10)16-11(15-12)8-17-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,16)
InChIKeyMAFRGASSMVOZNW-UHFFFAOYSA-N
MW257.32 g/mol
LogP2.85
Rot. Bonds3

About 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine

2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62195126) has the molecular formula C13H11N3OS and a molecular weight of 257.32 g/mol. Its IUPAC name is 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID62195126
Molecular FormulaC13H11N3OS
Molecular Weight257.32 g/mol
Exact Mass257.06
IUPAC Name2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccccc2)nc2sccc12
InChIInChI=1S/C13H11N3OS/c14-12-10-6-7-18-13(10)16-11(15-12)8-17-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,16)
InChIKeyMAFRGASSMVOZNW-UHFFFAOYSA-N
XLogP2.85
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine (CID 62195126) is 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine is Nc1nc(COc2ccccc2)nc2sccc12.
What is the InChIKey of 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MAFRGASSMVOZNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3OS/c14-12-10-6-7-18-13(10)16-11(15-12)8-17-9-4-2-1-3-5-9/h1-7H,8H2,(H2,14,15,16).
What are the key properties of 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine?
2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 257.32 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenoxymethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62195126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).