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

C11H8ClN5 — CID 24801183

IUPAC4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nccc(Cl)c23)n1
InChIInChI=1S/C11H8ClN5/c12-7-1-3-14-10-9(7)6(5-16-10)8-2-4-15-11(13)17-8/h1-5H,(H,14,16)(H2,13,15,17)
InChIKeyDTBMYSHZPNXMDE-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.26
Rot. Bonds1

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

4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 24801183) has the molecular formula C11H8ClN5 and a molecular weight of 245.67 g/mol. Its IUPAC name is 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID24801183
Molecular FormulaC11H8ClN5
Molecular Weight245.67 g/mol
Exact Mass245.05
IUPAC Name4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nccc(Cl)c23)n1
InChIInChI=1S/C11H8ClN5/c12-7-1-3-14-10-9(7)6(5-16-10)8-2-4-15-11(13)17-8/h1-5H,(H,14,16)(H2,13,15,17)
InChIKeyDTBMYSHZPNXMDE-UHFFFAOYSA-N
XLogP2.26
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 24801183) is 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3nccc(Cl)c23)n1.
What is the InChIKey of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is DTBMYSHZPNXMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5/c12-7-1-3-14-10-9(7)6(5-16-10)8-2-4-15-11(13)17-8/h1-5H,(H,14,16)(H2,13,15,17).
What are the key properties of 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 245.67 g/mol, XLogP of 2.26, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 24801183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).