5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

C23H24N8O — CID 66828202

IUPAC5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C23H24N8O/c1-14(2)29-19-7-4-15(10-26-19)20-30-21(31-32-20)23(8-3-9-23)17-5-6-18(25-13-17)16-11-27-22(24)28-12-16/h4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28)
InChIKeyDVANMRAYTATCPG-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.86
Rot. Bonds6

About 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine

5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828202) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828202
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCC(C)Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C23H24N8O/c1-14(2)29-19-7-4-15(10-26-19)20-30-21(31-32-20)23(8-3-9-23)17-5-6-18(25-13-17)16-11-27-22(24)28-12-16/h4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28)
InChIKeyDVANMRAYTATCPG-UHFFFAOYSA-N
XLogP3.86
TPSA128.53 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]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-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828202) is 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CC(C)Nc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is DVANMRAYTATCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-14(2)29-19-7-4-15(10-26-19)20-30-21(31-32-20)23(8-3-9-23)17-5-6-18(25-13-17)16-11-27-22(24)28-12-16/h4-7,10-14H,3,8-9H2,1-2H3,(H,26,29)(H2,24,27,28).
What are the key properties of 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 428.50 g/mol, XLogP of 3.86, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[6-(propan-2-ylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).