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

C15H18N6 — CID 25164572

IUPAC4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNCCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1
InChIInChI=1S/C15H18N6/c16-6-2-1-4-10-8-13(21-15(17)20-10)12-9-19-14-11(12)5-3-7-18-14/h3,5,7-9H,1-2,4,6,16H2,(H,18,19)(H2,17,20,21)
InChIKeyYLQCPFMGXNGNQR-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.88
Rot. Bonds5

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

4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 25164572) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID25164572
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESNCCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1
InChIInChI=1S/C15H18N6/c16-6-2-1-4-10-8-13(21-15(17)20-10)12-9-19-14-11(12)5-3-7-18-14/h3,5,7-9H,1-2,4,6,16H2,(H,18,19)(H2,17,20,21)
InChIKeyYLQCPFMGXNGNQR-UHFFFAOYSA-N
XLogP1.88
TPSA106.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 25164572) is 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is NCCCCc1cc(-c2c[nH]c3ncccc23)nc(N)n1.
What is the InChIKey of 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is YLQCPFMGXNGNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c16-6-2-1-4-10-8-13(21-15(17)20-10)12-9-19-14-11(12)5-3-7-18-14/h3,5,7-9H,1-2,4,6,16H2,(H,18,19)(H2,17,20,21).
What are the key properties of 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 282.35 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminobutyl)-6-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 25164572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).