4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C11H9N5 — CID 11637090

IUPAC4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C11H9N5/c12-11-14-5-3-9(16-11)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H2,12,14,16)
InChIKeyHQHSJJZIICGOIX-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.60
Rot. Bonds1

About 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 11637090) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID11637090
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ncccc23)n1
InChIInChI=1S/C11H9N5/c12-11-14-5-3-9(16-11)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H2,12,14,16)
InChIKeyHQHSJJZIICGOIX-UHFFFAOYSA-N
XLogP1.60
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 11637090) is 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3ncccc23)n1.
What is the InChIKey of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is HQHSJJZIICGOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-14-5-3-9(16-11)8-6-15-10-7(8)2-1-4-13-10/h1-6H,(H,13,15)(H2,12,14,16).
What are the key properties of 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 211.23 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 11637090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).