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

C13H9F2N3OS — CID 62193500

IUPAC2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccc(F)cc2F)nc2sccc12
InChIInChI=1S/C13H9F2N3OS/c14-7-1-2-10(9(15)5-7)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2,(H2,16,17,18)
InChIKeyQNJDZPIBMPVYGB-UHFFFAOYSA-N
MW293.30 g/mol
LogP3.13
Rot. Bonds3

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

2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 62193500) has the molecular formula C13H9F2N3OS and a molecular weight of 293.30 g/mol. Its IUPAC name is 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID62193500
Molecular FormulaC13H9F2N3OS
Molecular Weight293.30 g/mol
Exact Mass293.04
IUPAC Name2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESNc1nc(COc2ccc(F)cc2F)nc2sccc12
InChIInChI=1S/C13H9F2N3OS/c14-7-1-2-10(9(15)5-7)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2,(H2,16,17,18)
InChIKeyQNJDZPIBMPVYGB-UHFFFAOYSA-N
XLogP3.13
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 62193500) is 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is Nc1nc(COc2ccc(F)cc2F)nc2sccc12.
What is the InChIKey of 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QNJDZPIBMPVYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3OS/c14-7-1-2-10(9(15)5-7)19-6-11-17-12(16)8-3-4-20-13(8)18-11/h1-5H,6H2,(H2,16,17,18).
What are the key properties of 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine?
2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.30 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-difluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 62193500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).