4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C18H16N6 — CID 25165370

IUPAC4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccncc4)cc23)nc(N)n1
InChIInChI=1S/C18H16N6/c1-2-13-8-16(24-18(19)23-13)15-10-22-17-14(15)7-12(9-21-17)11-3-5-20-6-4-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyXXEDJRFAGXDPJH-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.23
Rot. Bonds3

About 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 25165370) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID25165370
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCc1cc(-c2c[nH]c3ncc(-c4ccncc4)cc23)nc(N)n1
InChIInChI=1S/C18H16N6/c1-2-13-8-16(24-18(19)23-13)15-10-22-17-14(15)7-12(9-21-17)11-3-5-20-6-4-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24)
InChIKeyXXEDJRFAGXDPJH-UHFFFAOYSA-N
XLogP3.23
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 25165370) is 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CCc1cc(-c2c[nH]c3ncc(-c4ccncc4)cc23)nc(N)n1.
What is the InChIKey of 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is XXEDJRFAGXDPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-2-13-8-16(24-18(19)23-13)15-10-22-17-14(15)7-12(9-21-17)11-3-5-20-6-4-11/h3-10H,2H2,1H3,(H,21,22)(H2,19,23,24).
What are the key properties of 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 316.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-6-(5-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 25165370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).