6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine

C20H15FN6S — CID 90313818

IUPAC6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3cc(N)ncn3)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)16-9-25-19(23)10-24-16)13-3-1-2-4-17(13)28-20-8-18(22)26-11-27-20/h1-11H,(H2,23,25)(H2,22,26,27)
InChIKeyJEYXQRTYKSTOJM-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.06
Rot. Bonds4

About 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine

6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine (PubChem CID 90313818) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
PubChem CID90313818
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3cc(N)ncn3)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)16-9-25-19(23)10-24-16)13-3-1-2-4-17(13)28-20-8-18(22)26-11-27-20/h1-11H,(H2,23,25)(H2,22,26,27)
InChIKeyJEYXQRTYKSTOJM-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 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
The IUPAC name of 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine (CID 90313818) is 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine is Nc1cnc(-c2ccc(-c3ccccc3Sc3cc(N)ncn3)cc2F)cn1.
What is the InChIKey of 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
The InChIKey is JEYXQRTYKSTOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)16-9-25-19(23)10-24-16)13-3-1-2-4-17(13)28-20-8-18(22)26-11-27-20/h1-11H,(H2,23,25)(H2,22,26,27).
What are the key properties of 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-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 6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine is sourced from PubChem (CID 90313818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).