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

C15H12N6 — CID 141257501

IUPAC4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nccc(-n4cccc4)c23)n1
InChIInChI=1S/C15H12N6/c16-15-18-5-3-11(20-15)10-9-19-14-13(10)12(4-6-17-14)21-7-1-2-8-21/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyNNURMMHURRCZRN-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.39
Rot. Bonds2

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

4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 141257501) has the molecular formula C15H12N6 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID141257501
Molecular FormulaC15H12N6
Molecular Weight276.30 g/mol
Exact Mass276.11
IUPAC Name4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3nccc(-n4cccc4)c23)n1
InChIInChI=1S/C15H12N6/c16-15-18-5-3-11(20-15)10-9-19-14-13(10)12(4-6-17-14)21-7-1-2-8-21/h1-9H,(H,17,19)(H2,16,18,20)
InChIKeyNNURMMHURRCZRN-UHFFFAOYSA-N
XLogP2.39
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 141257501) is 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3nccc(-n4cccc4)c23)n1.
What is the InChIKey of 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is NNURMMHURRCZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6/c16-15-18-5-3-11(20-15)10-9-19-14-13(10)12(4-6-17-14)21-7-1-2-8-21/h1-9H,(H,17,19)(H2,16,18,20).
What are the key properties of 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 276.30 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrol-1-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 141257501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).