3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine

C15H18N6 — CID 44623114

IUPAC3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCN(CC)c1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C15H18N6/c1-3-21(4-2)12-6-8-17-14-13(12)10(9-19-14)11-5-7-18-15(16)20-11/h5-9H,3-4H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeySSEIMBJSUPTNAE-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.45
Rot. Bonds4

About 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine

3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 44623114) has the molecular formula C15H18N6 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

Compound Name3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
PubChem CID44623114
Molecular FormulaC15H18N6
Molecular Weight282.35 g/mol
Exact Mass282.16
IUPAC Name3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine
SMILESCCN(CC)c1ccnc2[nH]cc(-c3ccnc(N)n3)c12
InChIInChI=1S/C15H18N6/c1-3-21(4-2)12-6-8-17-14-13(12)10(9-19-14)11-5-7-18-15(16)20-11/h5-9H,3-4H2,1-2H3,(H,17,19)(H2,16,18,20)
InChIKeySSEIMBJSUPTNAE-UHFFFAOYSA-N
XLogP2.45
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The IUPAC name of 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 44623114) is 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine.
What is the SMILES notation for 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The canonical SMILES for 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine is CCN(CC)c1ccnc2[nH]cc(-c3ccnc(N)n3)c12.
What is the InChIKey of 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
The InChIKey is SSEIMBJSUPTNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6/c1-3-21(4-2)12-6-8-17-14-13(12)10(9-19-14)11-5-7-18-15(16)20-11/h5-9H,3-4H2,1-2H3,(H,17,19)(H2,16,18,20).
What are the key properties of 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine?
3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopyrimidin-4-yl)-N,N-diethyl-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 44623114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).