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

C13H10FN3S — CID 2100087

IUPACN-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1CNc1ncnc2sccc12
InChIInChI=1S/C13H10FN3S/c14-11-4-2-1-3-9(11)7-15-12-10-5-6-18-13(10)17-8-16-12/h1-6,8H,7H2,(H,15,16,17)
InChIKeyKXXFRJYLEQQBFS-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.44
Rot. Bonds3

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

N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 2100087) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID2100087
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC NameN-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESFc1ccccc1CNc1ncnc2sccc12
InChIInChI=1S/C13H10FN3S/c14-11-4-2-1-3-9(11)7-15-12-10-5-6-18-13(10)17-8-16-12/h1-6,8H,7H2,(H,15,16,17)
InChIKeyKXXFRJYLEQQBFS-UHFFFAOYSA-N
XLogP3.44
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine (CID 2100087) is N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is Fc1ccccc1CNc1ncnc2sccc12.
What is the InChIKey of N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is KXXFRJYLEQQBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-11-4-2-1-3-9(11)7-15-12-10-5-6-18-13(10)17-8-16-12/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine?
N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 2100087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).