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

C21H14F4N6 — CID 90313649

IUPAC5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1cnc(-c2ccc(-c3cc(C(F)(F)F)ccc3-c3cnc(N)nc3)cc2F)cn1
InChIInChI=1S/C21H14F4N6/c22-17-5-11(1-3-15(17)18-9-29-19(26)10-28-18)16-6-13(21(23,24)25)2-4-14(16)12-7-30-20(27)31-8-12/h1-10H,(H2,26,29)(H2,27,30,31)
InChIKeyOCVLZRQMWIRKLE-UHFFFAOYSA-N
MW426.38 g/mol
LogP4.59
Rot. Bonds3

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

5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine (PubChem CID 90313649) has the molecular formula C21H14F4N6 and a molecular weight of 426.38 g/mol. Its IUPAC name is 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
PubChem CID90313649
Molecular FormulaC21H14F4N6
Molecular Weight426.38 g/mol
Exact Mass426.12
IUPAC Name5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
SMILESNc1cnc(-c2ccc(-c3cc(C(F)(F)F)ccc3-c3cnc(N)nc3)cc2F)cn1
InChIInChI=1S/C21H14F4N6/c22-17-5-11(1-3-15(17)18-9-29-19(26)10-28-18)16-6-13(21(23,24)25)2-4-14(16)12-7-30-20(27)31-8-12/h1-10H,(H2,26,29)(H2,27,30,31)
InChIKeyOCVLZRQMWIRKLE-UHFFFAOYSA-N
XLogP4.59
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.38
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine (CID 90313649) is 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine is Nc1cnc(-c2ccc(-c3cc(C(F)(F)F)ccc3-c3cnc(N)nc3)cc2F)cn1.
What is the InChIKey of 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
The InChIKey is OCVLZRQMWIRKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F4N6/c22-17-5-11(1-3-15(17)18-9-29-19(26)10-28-18)16-6-13(21(23,24)25)2-4-14(16)12-7-30-20(27)31-8-12/h1-10H,(H2,26,29)(H2,27,30,31).
What are the key properties of 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine?
5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine has a molecular weight of 426.38 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-4-(trifluoromethyl)phenyl]pyrimidin-2-amine is sourced from PubChem (CID 90313649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).