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

C20H15FN6S — CID 90314245

IUPAC4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-9-12(5-6-14(15)16-10-26-18(22)11-25-16)13-3-1-2-4-17(13)28-19-7-8-24-20(23)27-19/h1-11H,(H2,22,26)(H2,23,24,27)
InChIKeyDBMKBIHGTWADON-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.06
Rot. Bonds4

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

4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine (PubChem CID 90314245) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine
PubChem CID90314245
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-9-12(5-6-14(15)16-10-26-18(22)11-25-16)13-3-1-2-4-17(13)28-19-7-8-24-20(23)27-19/h1-11H,(H2,22,26)(H2,23,24,27)
InChIKeyDBMKBIHGTWADON-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 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine?
The IUPAC name of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine (CID 90314245) is 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine?
The canonical SMILES for 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3Sc3ccnc(N)n3)cc2F)cn1.
What is the InChIKey of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine?
The InChIKey is DBMKBIHGTWADON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-15-9-12(5-6-14(15)16-10-26-18(22)11-25-16)13-3-1-2-4-17(13)28-19-7-8-24-20(23)27-19/h1-11H,(H2,22,26)(H2,23,24,27).
What are the key properties of 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine?
4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-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 4-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-2-amine is sourced from PubChem (CID 90314245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).