4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine

C15H15N5 — CID 53258498

IUPAC4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine
SMILESc1cnc(Nn2cc3nccc(C4CCC4)c3c2)nc1
InChIInChI=1S/C15H15N5/c1-3-11(4-1)12-5-8-16-14-10-20(9-13(12)14)19-15-17-6-2-7-18-15/h2,5-11H,1,3-4H2,(H,17,18,19)
InChIKeyMXYFIIFISWVXEH-UHFFFAOYSA-N
MW265.32 g/mol
LogP2.97
Rot. Bonds3

About 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine

4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine (PubChem CID 53258498) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine.

Molecular Properties

Compound Name4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine
PubChem CID53258498
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine
SMILESc1cnc(Nn2cc3nccc(C4CCC4)c3c2)nc1
InChIInChI=1S/C15H15N5/c1-3-11(4-1)12-5-8-16-14-10-20(9-13(12)14)19-15-17-6-2-7-18-15/h2,5-11H,1,3-4H2,(H,17,18,19)
InChIKeyMXYFIIFISWVXEH-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine?
The IUPAC name of 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine (CID 53258498) is 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine.
What is the SMILES notation for 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine?
The canonical SMILES for 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine is c1cnc(Nn2cc3nccc(C4CCC4)c3c2)nc1.
What is the InChIKey of 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine?
The InChIKey is MXYFIIFISWVXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-3-11(4-1)12-5-8-16-14-10-20(9-13(12)14)19-15-17-6-2-7-18-15/h2,5-11H,1,3-4H2,(H,17,18,19).
What are the key properties of 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine?
4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine has a molecular weight of 265.32 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyl-N-pyrimidin-2-ylpyrrolo[3,4-b]pyridin-6-amine is sourced from PubChem (CID 53258498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).