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

C13H10FN3S — CID 17416766

IUPACN-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2ncnc3ccsc23)cc1
InChIInChI=1S/C13H10FN3S/c14-10-3-1-9(2-4-10)7-15-13-12-11(5-6-18-12)16-8-17-13/h1-6,8H,7H2,(H,15,16,17)
InChIKeyNEPNTSOZOPURDG-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.44
Rot. Bonds3

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

N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (PubChem CID 17416766) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
PubChem CID17416766
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC NameN-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2ncnc3ccsc23)cc1
InChIInChI=1S/C13H10FN3S/c14-10-3-1-9(2-4-10)7-15-13-12-11(5-6-18-12)16-8-17-13/h1-6,8H,7H2,(H,15,16,17)
InChIKeyNEPNTSOZOPURDG-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-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine (CID 17416766) is N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is Fc1ccc(CNc2ncnc3ccsc23)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is NEPNTSOZOPURDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-10-3-1-9(2-4-10)7-15-13-12-11(5-6-18-12)16-8-17-13/h1-6,8H,7H2,(H,15,16,17).
What are the key properties of N-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine?
N-[(4-fluorophenyl)methyl]thieno[3,2-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-[(4-fluorophenyl)methyl]thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 17416766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).