2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine

C16H18FN7O — CID 142374203

IUPAC2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cnc2[nH]cc(-c3nc(N)c(F)c(N4CCOCC4)n3)c2n1
InChIInChI=1S/C16H18FN7O/c1-2-9-7-19-15-12(21-9)10(8-20-15)14-22-13(18)11(17)16(23-14)24-3-5-25-6-4-24/h7-8H,2-6H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyWNHLTMZFJVJYJW-UHFFFAOYSA-N
MW343.37 g/mol
LogP1.54
Rot. Bonds3

About 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine

2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine (PubChem CID 142374203) has the molecular formula C16H18FN7O and a molecular weight of 343.37 g/mol. Its IUPAC name is 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine
PubChem CID142374203
Molecular FormulaC16H18FN7O
Molecular Weight343.37 g/mol
Exact Mass343.16
IUPAC Name2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine
SMILESCCc1cnc2[nH]cc(-c3nc(N)c(F)c(N4CCOCC4)n3)c2n1
InChIInChI=1S/C16H18FN7O/c1-2-9-7-19-15-12(21-9)10(8-20-15)14-22-13(18)11(17)16(23-14)24-3-5-25-6-4-24/h7-8H,2-6H2,1H3,(H,19,20)(H2,18,22,23)
InChIKeyWNHLTMZFJVJYJW-UHFFFAOYSA-N
XLogP1.54
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine with MolForge

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Related Compounds

4-[5-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]morpholine
CID 72706837
5-(8-ethyl-9-methyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 127049341
5-(9-ethyl-6-morpholin-4-ylpurin-2-yl)pyrimidin-2-amine
CID 143903048
1-[5-[7-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-morpholin-4-yl-3-pyridinyl]-N,N-dimethylmethanamine
CID 170062627
5-fluoro-2-(5-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl)-6-methylsulfanylpyrimidin-4-amine
CID 142296682
4-[6-(3-fluoro-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrazin-2-yl]morpholine
CID 66556280
(2S,3S)-3-[[2-(2-chloro-5H-pyrrolo[2,3-b]pyrazin-7-yl)-6-morpholin-4-ylpyrimidin-4-yl]amino]bicyclo[2.2.2]octane-2-carboxylic acid
CID 146505106
5-(5-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829304
4-[5-[7-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-5H-pyrrolo[2,3-b]pyrazin-2-yl]-1,3-thiazol-2-yl]morpholine
CID 170063141
5-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 58575873
3-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)benzamide
CID 118438472
2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylimidazo[2,1-f][1,2,4]triazine-6-carboxamide
CID 54670188

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine (CID 142374203) is 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine is CCc1cnc2[nH]cc(-c3nc(N)c(F)c(N4CCOCC4)n3)c2n1.
What is the InChIKey of 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine?
The InChIKey is WNHLTMZFJVJYJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN7O/c1-2-9-7-19-15-12(21-9)10(8-20-15)14-22-13(18)11(17)16(23-14)24-3-5-25-6-4-24/h7-8H,2-6H2,1H3,(H,19,20)(H2,18,22,23).
What are the key properties of 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine?
2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine has a molecular weight of 343.37 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5H-pyrrolo[2,3-b]pyrazin-7-yl)-5-fluoro-6-morpholin-4-ylpyrimidin-4-amine is sourced from PubChem (CID 142374203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).