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

C20H15FN6S — CID 90312682

IUPAC6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
SMILESNc1cc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1
InChIInChI=1S/C20H15FN6S/c21-16-7-12(5-6-14(16)13-9-24-20(23)25-10-13)15-3-1-2-4-17(15)28-19-8-18(22)26-11-27-19/h1-11H,(H2,22,26,27)(H2,23,24,25)
InChIKeyVYEXHEDYRFVOIX-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.06
Rot. Bonds4

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

6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine (PubChem CID 90312682) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
PubChem CID90312682
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
SMILESNc1cc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1
InChIInChI=1S/C20H15FN6S/c21-16-7-12(5-6-14(16)13-9-24-20(23)25-10-13)15-3-1-2-4-17(15)28-19-8-18(22)26-11-27-19/h1-11H,(H2,22,26,27)(H2,23,24,25)
InChIKeyVYEXHEDYRFVOIX-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-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
The IUPAC name of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine (CID 90312682) is 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine is Nc1cc(Sc2ccccc2-c2ccc(-c3cnc(N)nc3)c(F)c2)ncn1.
What is the InChIKey of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
The InChIKey is VYEXHEDYRFVOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-16-7-12(5-6-14(16)13-9-24-20(23)25-10-13)15-3-1-2-4-17(15)28-19-8-18(22)26-11-27-19/h1-11H,(H2,22,26,27)(H2,23,24,25).
What are the key properties of 6-[2-[4-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine?
6-[2-[4-(2-aminopyrimidin-5-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-(2-aminopyrimidin-5-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine is sourced from PubChem (CID 90312682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).