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

C21H19N7O — CID 56945000

IUPAC5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C21H19N7O/c1-13-3-4-14(9-23-13)18-27-19(28-29-18)21(7-2-8-21)16-5-6-17(24-12-16)15-10-25-20(22)26-11-15/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)
InChIKeyQMZDCIVYPQJZOK-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.34
Rot. Bonds4

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

5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56945000) has the molecular formula C21H19N7O and a molecular weight of 385.43 g/mol. Its IUPAC name is 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56945000
Molecular FormulaC21H19N7O
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C21H19N7O/c1-13-3-4-14(9-23-13)18-27-19(28-29-18)21(7-2-8-21)16-5-6-17(24-12-16)15-10-25-20(22)26-11-15/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26)
InChIKeyQMZDCIVYPQJZOK-UHFFFAOYSA-N
XLogP3.34
TPSA116.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56945000) is 5-[5-[1-[5-(6-methyl-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-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is Cc1ccc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is QMZDCIVYPQJZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N7O/c1-13-3-4-14(9-23-13)18-27-19(28-29-18)21(7-2-8-21)16-5-6-17(24-12-16)15-10-25-20(22)26-11-15/h3-6,9-12H,2,7-8H2,1H3,(H2,22,25,26).
What are the key properties of 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 385.43 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56945000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).