N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine

C22H18FN5O2 — CID 90314272

IUPACN-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(Nc2cnc(-c3cccc(-c4ccccc4)c3F)cn2)nc(OC)n1
InChIInChI=1S/C22H18FN5O2/c1-29-20-11-18(27-22(28-20)30-2)26-19-13-24-17(12-25-19)16-10-6-9-15(21(16)23)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,26,27,28)
InChIKeyQIUOSJWKXWTNNV-UHFFFAOYSA-N
MW403.42 g/mol
LogP4.50
Rot. Bonds6

About N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine

N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine (PubChem CID 90314272) has the molecular formula C22H18FN5O2 and a molecular weight of 403.42 g/mol. Its IUPAC name is N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine
PubChem CID90314272
Molecular FormulaC22H18FN5O2
Molecular Weight403.42 g/mol
Exact Mass403.14
IUPAC NameN-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(Nc2cnc(-c3cccc(-c4ccccc4)c3F)cn2)nc(OC)n1
InChIInChI=1S/C22H18FN5O2/c1-29-20-11-18(27-22(28-20)30-2)26-19-13-24-17(12-25-19)16-10-6-9-15(21(16)23)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,26,27,28)
InChIKeyQIUOSJWKXWTNNV-UHFFFAOYSA-N
XLogP4.50
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.42
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine?
The IUPAC name of N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine (CID 90314272) is N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine.
What is the SMILES notation for N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine?
The canonical SMILES for N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine is COc1cc(Nc2cnc(-c3cccc(-c4ccccc4)c3F)cn2)nc(OC)n1.
What is the InChIKey of N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine?
The InChIKey is QIUOSJWKXWTNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O2/c1-29-20-11-18(27-22(28-20)30-2)26-19-13-24-17(12-25-19)16-10-6-9-15(21(16)23)14-7-4-3-5-8-14/h3-13H,1-2H3,(H,25,26,27,28).
What are the key properties of N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine?
N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine has a molecular weight of 403.42 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine is sourced from PubChem (CID 90314272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).