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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Related Compounds

CID 25126798
CID 25126798
CID 62805
CID 62805
CID 25151352
CID 25151352
CID 62244
CID 62244
CID 10297043
CID 10297043
CID 9222
CID 9222
CID 24905142
CID 24905142
CID 400433
CID 400433
CID 89915073
CID 89915073
CID 68947304
CID 68947304
CID 5359646
CID 5359646
CID 17751819
CID 17751819

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).