5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine

C20H25N7 — CID 86303074

IUPAC5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3C4CCCC3CC4)nc(N3CC4CC3C4)n2)cn1
InChIInChI=1S/C20H25N7/c21-19-22-9-13(10-23-19)17-8-18(27-14-2-1-3-15(27)5-4-14)25-20(24-17)26-11-12-6-16(26)7-12/h8-10,12,14-16H,1-7,11H2,(H2,21,22,23)
InChIKeyJBAGNQPRECKCRJ-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.64
Rot. Bonds3

About 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine

5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine (PubChem CID 86303074) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine
PubChem CID86303074
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC Name5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine
SMILESNc1ncc(-c2cc(N3C4CCCC3CC4)nc(N3CC4CC3C4)n2)cn1
InChIInChI=1S/C20H25N7/c21-19-22-9-13(10-23-19)17-8-18(27-14-2-1-3-15(27)5-4-14)25-20(24-17)26-11-12-6-16(26)7-12/h8-10,12,14-16H,1-7,11H2,(H2,21,22,23)
InChIKeyJBAGNQPRECKCRJ-UHFFFAOYSA-N
XLogP2.64
TPSA84.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-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-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine (CID 86303074) is 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine is Nc1ncc(-c2cc(N3C4CCCC3CC4)nc(N3CC4CC3C4)n2)cn1.
What is the InChIKey of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine?
The InChIKey is JBAGNQPRECKCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c21-19-22-9-13(10-23-19)17-8-18(27-14-2-1-3-15(27)5-4-14)25-20(24-17)26-11-12-6-16(26)7-12/h8-10,12,14-16H,1-7,11H2,(H2,21,22,23).
What are the key properties of 5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine?
5-[2-(2-azabicyclo[2.1.1]hexan-2-yl)-6-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 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-(8-azabicyclo[3.2.1]octan-8-yl)pyrimidin-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 86303074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).