[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine

C13H18N4O2 — CID 82666358

IUPAC[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine
SMILESCOc1cnc2[nH]cc(C3(CN)CCOCC3)c2n1
InChIInChI=1S/C13H18N4O2/c1-18-10-7-16-12-11(17-10)9(6-15-12)13(8-14)2-4-19-5-3-13/h6-7H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyAGIBMRAJTWSLEE-UHFFFAOYSA-N
MW262.31 g/mol
LogP0.97
Rot. Bonds3

About [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine

[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine (PubChem CID 82666358) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine
PubChem CID82666358
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine
SMILESCOc1cnc2[nH]cc(C3(CN)CCOCC3)c2n1
InChIInChI=1S/C13H18N4O2/c1-18-10-7-16-12-11(17-10)9(6-15-12)13(8-14)2-4-19-5-3-13/h6-7H,2-5,8,14H2,1H3,(H,15,16)
InChIKeyAGIBMRAJTWSLEE-UHFFFAOYSA-N
XLogP0.97
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine?
The IUPAC name of [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine (CID 82666358) is [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine is COc1cnc2[nH]cc(C3(CN)CCOCC3)c2n1.
What is the InChIKey of [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine?
The InChIKey is AGIBMRAJTWSLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-18-10-7-16-12-11(17-10)9(6-15-12)13(8-14)2-4-19-5-3-13/h6-7H,2-5,8,14H2,1H3,(H,15,16).
What are the key properties of [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine?
[4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine has a molecular weight of 262.31 g/mol, XLogP of 0.97, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxy-5H-pyrrolo[2,3-b]pyrazin-7-yl)oxan-4-yl]methanamine is sourced from PubChem (CID 82666358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).