Meriolin 4

C13H13N5O — CID 24801697

IUPAC4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCOC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N
InChIInChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyCJJMNECGBUPMAV-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.20
Rot. Bonds3

About Meriolin 4

Meriolin 4 (PubChem CID 24801697) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameMeriolin 4
PubChem CID24801697
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCOC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N
InChIInChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18)
InChIKeyCJJMNECGBUPMAV-UHFFFAOYSA-N
XLogP1.20
TPSA89.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity303

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Meriolin 4?
The IUPAC name of Meriolin 4 (CID 24801697) is 4-(4-ethoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for Meriolin 4?
The canonical SMILES for Meriolin 4 is CCOC1=C2C(=CNC2=NC=C1)C3=NC(=NC=C3)N.
What is the InChIKey of Meriolin 4?
The InChIKey is CJJMNECGBUPMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-2-19-10-4-6-15-12-11(10)8(7-17-12)9-3-5-16-13(14)18-9/h3-7H,2H2,1H3,(H,15,17)(H2,14,16,18).
What are the key properties of Meriolin 4?
Meriolin 4 has a molecular weight of 255.28 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Meriolin 4 is sourced from PubChem (CID 24801697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).