5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine

C22H18FN5O — CID 90313765

IUPAC5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESCc1cc(C)nc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1
InChIInChI=1S/C22H18FN5O/c1-13-9-14(2)28-22(27-13)29-20-6-4-3-5-16(20)15-7-8-17(18(23)10-15)19-11-26-21(24)12-25-19/h3-12H,1-2H3,(H2,24,26)
InChIKeyNAUDVPBFGXEONQ-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.73
Rot. Bonds4

About 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90313765) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90313765
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC Name5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESCc1cc(C)nc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1
InChIInChI=1S/C22H18FN5O/c1-13-9-14(2)28-22(27-13)29-20-6-4-3-5-16(20)15-7-8-17(18(23)10-15)19-11-26-21(24)12-25-19/h3-12H,1-2H3,(H2,24,26)
InChIKeyNAUDVPBFGXEONQ-UHFFFAOYSA-N
XLogP4.73
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine (CID 90313765) is 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine is Cc1cc(C)nc(Oc2ccccc2-c2ccc(-c3cnc(N)cn3)c(F)c2)n1.
What is the InChIKey of 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is NAUDVPBFGXEONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-13-9-14(2)28-22(27-13)29-20-6-4-3-5-16(20)15-7-8-17(18(23)10-15)19-11-26-21(24)12-25-19/h3-12H,1-2H3,(H2,24,26).
What are the key properties of 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 387.42 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90313765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).