6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine

C19H13FN6O — CID 135136834

IUPAC6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine
SMILESCc1cnc2[nH]cc(-c3nc(N)c(F)c(-c4cc5ccccc5o4)n3)c2n1
InChIInChI=1S/C19H13FN6O/c1-9-7-22-19-15(24-9)11(8-23-19)18-25-16(14(20)17(21)26-18)13-6-10-4-2-3-5-12(10)27-13/h2-8H,1H3,(H,22,23)(H2,21,25,26)
InChIKeyDEUIATFFHXZETP-UHFFFAOYSA-N
MW360.35 g/mol
LogP3.86
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine

6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine (PubChem CID 135136834) has the molecular formula C19H13FN6O and a molecular weight of 360.35 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine
PubChem CID135136834
Molecular FormulaC19H13FN6O
Molecular Weight360.35 g/mol
Exact Mass360.11
IUPAC Name6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine
SMILESCc1cnc2[nH]cc(-c3nc(N)c(F)c(-c4cc5ccccc5o4)n3)c2n1
InChIInChI=1S/C19H13FN6O/c1-9-7-22-19-15(24-9)11(8-23-19)18-25-16(14(20)17(21)26-18)13-6-10-4-2-3-5-12(10)27-13/h2-8H,1H3,(H,22,23)(H2,21,25,26)
InChIKeyDEUIATFFHXZETP-UHFFFAOYSA-N
XLogP3.86
TPSA106.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-2-(2-fluoro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 148720102
3-(1-benzofuran-2-yl)pyrazin-2-amine
CID 114734408
6-(1-benzofuran-2-yl)-5-fluoro-4-N-phenylpyrimidine-2,4-diamine
CID 132967651
2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine
CID 142374203
4,7-bis(1-benzofuran-2-yl)-2,9-dimethyl-1,10-phenanthroline
CID 177473351
5-(1-benzofuran-2-yl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 136911032
4-amino-6-(1-benzofuran-2-yl)-2-[2-(4-methylpiperazin-1-yl)phenyl]pyrimidine-5-carbonitrile
CID 175566686
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
1-[[4-(1-benzofuran-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methyl]piperidin-4-amine
CID 141286265
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine
CID 142296682
2-(1-benzofuran-2-yl)-5-methylimidazo[1,2-a]pyridin-3-amine
CID 63896796
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 63090960

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine (CID 135136834) is 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine is Cc1cnc2[nH]cc(-c3nc(N)c(F)c(-c4cc5ccccc5o4)n3)c2n1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine?
The InChIKey is DEUIATFFHXZETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN6O/c1-9-7-22-19-15(24-9)11(8-23-19)18-25-16(14(20)17(21)26-18)13-6-10-4-2-3-5-12(10)27-13/h2-8H,1H3,(H,22,23)(H2,21,25,26).
What are the key properties of 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine?
6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine has a molecular weight of 360.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-5-fluoro-2-(2-methyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)pyrimidin-4-amine is sourced from PubChem (CID 135136834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).