5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine

C20H15FN6S — CID 90313163

IUPAC5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-16-7-12(5-6-14(16)13-8-25-20(23)26-9-13)15-3-1-2-4-18(15)28-19-17(22)10-24-11-27-19/h1-11H,22H2,(H2,23,25,26)
InChIKeyOGUZFJMUFLDABW-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.06
Rot. Bonds4

About 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine

5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine (PubChem CID 90313163) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine
PubChem CID90313163
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine
SMILESNc1ncc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-16-7-12(5-6-14(16)13-8-25-20(23)26-9-13)15-3-1-2-4-18(15)28-19-17(22)10-24-11-27-19/h1-11H,22H2,(H2,23,25,26)
InChIKeyOGUZFJMUFLDABW-UHFFFAOYSA-N
XLogP4.06
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine (CID 90313163) is 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine is Nc1ncc(-c2ccc(-c3ccccc3Sc3ncncc3N)cc2F)cn1.
What is the InChIKey of 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine?
The InChIKey is OGUZFJMUFLDABW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-16-7-12(5-6-14(16)13-8-25-20(23)26-9-13)15-3-1-2-4-18(15)28-19-17(22)10-24-11-27-19/h1-11H,22H2,(H2,23,25,26).
What are the key properties of 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine?
5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(5-aminopyrimidin-4-yl)sulfanylphenyl]-2-fluorophenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).