5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine

C18H21N7 — CID 123223994

IUPAC5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(C3C4CNCC43)nc(N3CC4CC3C4)n2)cn1
InChIInChI=1S/C18H21N7/c19-17-21-4-10(5-22-17)14-3-15(16-12-6-20-7-13(12)16)24-18(23-14)25-8-9-1-11(25)2-9/h3-5,9,11-13,16,20H,1-2,6-8H2,(H2,19,21,22)
InChIKeyQVZPPABHSAMXQY-UHFFFAOYSA-N
MW335.42 g/mol
LogP1.05
Rot. Bonds3

About 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine

5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 123223994) has the molecular formula C18H21N7 and a molecular weight of 335.42 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID123223994
Molecular FormulaC18H21N7
Molecular Weight335.42 g/mol
Exact Mass335.19
IUPAC Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(C3C4CNCC43)nc(N3CC4CC3C4)n2)cn1
InChIInChI=1S/C18H21N7/c19-17-21-4-10(5-22-17)14-3-15(16-12-6-20-7-13(12)16)24-18(23-14)25-8-9-1-11(25)2-9/h3-5,9,11-13,16,20H,1-2,6-8H2,(H2,19,21,22)
InChIKeyQVZPPABHSAMXQY-UHFFFAOYSA-N
XLogP1.05
TPSA92.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-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 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine (CID 123223994) is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2cc(C3C4CNCC43)nc(N3CC4CC3C4)n2)cn1.
What is the InChIKey of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is QVZPPABHSAMXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7/c19-17-21-4-10(5-22-17)14-3-15(16-12-6-20-7-13(12)16)24-18(23-14)25-8-9-1-11(25)2-9/h3-5,9,11-13,16,20H,1-2,6-8H2,(H2,19,21,22).
What are the key properties of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine?
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 335.42 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(3-azabicyclo[3.1.0]hexan-6-yl)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 123223994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).