5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

C20H19N7O — CID 56848641

IUPAC5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)n[nH]1
InChIInChI=1S/C20H19N7O/c1-12-9-16(26-25-12)17-24-18(27-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-10-22-19(21)23-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)(H2,21,22,23)
InChIKeyIMTBBQKIJHZMFT-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.28
Rot. Bonds4

About 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine

5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (PubChem CID 56848641) has the molecular formula C20H19N7O and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
PubChem CID56848641
Molecular FormulaC20H19N7O
Molecular Weight373.42 g/mol
Exact Mass373.17
IUPAC Name5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)n[nH]1
InChIInChI=1S/C20H19N7O/c1-12-9-16(26-25-12)17-24-18(27-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-10-22-19(21)23-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)(H2,21,22,23)
InChIKeyIMTBBQKIJHZMFT-UHFFFAOYSA-N
XLogP3.28
TPSA119.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The IUPAC name of 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine (CID 56848641) is 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The canonical SMILES for 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cc4)CCC3)no2)n[nH]1.
What is the InChIKey of 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
The InChIKey is IMTBBQKIJHZMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O/c1-12-9-16(26-25-12)17-24-18(27-28-17)20(7-2-8-20)15-5-3-13(4-6-15)14-10-22-19(21)23-11-14/h3-6,9-11H,2,7-8H2,1H3,(H,25,26)(H2,21,22,23).
What are the key properties of 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine?
5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine has a molecular weight of 373.42 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrimidin-2-amine is sourced from PubChem (CID 56848641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).