4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

C15H11N5O — CID 129206993

IUPAC4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)n1
InChIInChI=1S/C15H11N5O/c16-15-17-3-1-13(20-15)12-7-19-14-11(12)5-10(6-18-14)9-2-4-21-8-9/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyXVSQCPXHQMSQEO-UHFFFAOYSA-N
MW277.29 g/mol
LogP2.86
Rot. Bonds2

About 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine

4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (PubChem CID 129206993) has the molecular formula C15H11N5O and a molecular weight of 277.29 g/mol. Its IUPAC name is 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
PubChem CID129206993
Molecular FormulaC15H11N5O
Molecular Weight277.29 g/mol
Exact Mass277.10
IUPAC Name4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
SMILESNc1nccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)n1
InChIInChI=1S/C15H11N5O/c16-15-17-3-1-13(20-15)12-7-19-14-11(12)5-10(6-18-14)9-2-4-21-8-9/h1-8H,(H,18,19)(H2,16,17,20)
InChIKeyXVSQCPXHQMSQEO-UHFFFAOYSA-N
XLogP2.86
TPSA93.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The IUPAC name of 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine (CID 129206993) is 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The canonical SMILES for 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is Nc1nccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)n1.
What is the InChIKey of 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
The InChIKey is XVSQCPXHQMSQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5O/c16-15-17-3-1-13(20-15)12-7-19-14-11(12)5-10(6-18-14)9-2-4-21-8-9/h1-8H,(H,18,19)(H2,16,17,20).
What are the key properties of 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine?
4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine has a molecular weight of 277.29 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine is sourced from PubChem (CID 129206993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).