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

C23H24N8O2 — CID 66828219

IUPAC5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C23H24N8O2/c1-32-10-9-25-19-6-3-15(11-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(26-14-17)16-12-28-22(24)29-13-16/h3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29)
InChIKeyXJCOBLPEAJZIGO-UHFFFAOYSA-N
MW444.50 g/mol
LogP3.09
Rot. Bonds8

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

5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 66828219) has the molecular formula C23H24N8O2 and a molecular weight of 444.50 g/mol. Its IUPAC name is 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID66828219
Molecular FormulaC23H24N8O2
Molecular Weight444.50 g/mol
Exact Mass444.20
IUPAC Name5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCOCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C23H24N8O2/c1-32-10-9-25-19-6-3-15(11-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(26-14-17)16-12-28-22(24)29-13-16/h3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29)
InChIKeyXJCOBLPEAJZIGO-UHFFFAOYSA-N
XLogP3.09
TPSA137.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.50
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[5-[1-[5-[1-(2-Methoxyethyl)pyrazol-4-yl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56944231
5-(5-(3-Methyl-1,2,4-oxadiazol-5-yl)-4-(piperidin-4-ylmethylamino)pyridin-2-ylamino)pyrazine-2-carbonitrile
CID 59613513
5-[4-[1-(5-Pyridin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 68074929
3-(Methoxymethyl)-5-[6-[2-(methoxymethyl)piperidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45186809
5-[5-[1-[5-(6-Piperazin-1-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943733
5-[5-[1-[5-(2-Methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943735
5-[5-[1-[5-(4-Methoxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943737
5-[5-[1-[5-(3-Methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943738
5-[5-[1-(5-Pyridin-4-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943831
5-[5-[1-[5-(4-Methylphenyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943832
5-[5-[1-[5-(4-Chloro-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943833
5-[5-[1-[5-(6-Morpholin-4-yl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
CID 56943835

Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 66828219) is 5-[5-[1-[5-[6-(2-methoxyethylamino)-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-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is COCCNc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is XJCOBLPEAJZIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O2/c1-32-10-9-25-19-6-3-15(11-27-19)20-30-21(31-33-20)23(7-2-8-23)17-4-5-18(26-14-17)16-12-28-22(24)29-13-16/h3-6,11-14H,2,7-10H2,1H3,(H,25,27)(H2,24,28,29).
What are the key properties of 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 444.50 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-[6-(2-methoxyethylamino)-3-pyridinyl]-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).