(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate

C13H18N4O2 — CID 67364708

IUPAC(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(C(C)C)nc12
InChIInChI=1S/C13H18N4O2/c1-7(2)9-5-14-12-11(17-9)10(6-15-12)19-13(18)16-8(3)4/h5-8H,1-4H3,(H,14,15)(H,16,18)
InChIKeyAGCVIYVZBVTWTI-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.58
Rot. Bonds3

About (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate

(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate (PubChem CID 67364708) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate.

Molecular Properties

Compound Name(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
PubChem CID67364708
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate
SMILESCC(C)NC(=O)Oc1c[nH]c2ncc(C(C)C)nc12
InChIInChI=1S/C13H18N4O2/c1-7(2)9-5-14-12-11(17-9)10(6-15-12)19-13(18)16-8(3)4/h5-8H,1-4H3,(H,14,15)(H,16,18)
InChIKeyAGCVIYVZBVTWTI-UHFFFAOYSA-N
XLogP2.58
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The IUPAC name of (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate (CID 67364708) is (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate.
What is the SMILES notation for (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The canonical SMILES for (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate is CC(C)NC(=O)Oc1c[nH]c2ncc(C(C)C)nc12.
What is the InChIKey of (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
The InChIKey is AGCVIYVZBVTWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-7(2)9-5-14-12-11(17-9)10(6-15-12)19-13(18)16-8(3)4/h5-8H,1-4H3,(H,14,15)(H,16,18).
What are the key properties of (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate?
(2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate has a molecular weight of 262.31 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yl-5H-pyrrolo[2,3-b]pyrazin-7-yl) N-propan-2-ylcarbamate is sourced from PubChem (CID 67364708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).