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

C20H20N8O — CID 56944901

IUPAC5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C20H20N8O/c1-2-28-12-14(10-25-28)17-26-18(27-29-17)20(6-3-7-20)15-4-5-16(22-11-15)13-8-23-19(21)24-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H2,21,23,24)
InChIKeyYMKBRMVJKNLMCP-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.86
Rot. Bonds5

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

5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 56944901) has the molecular formula C20H20N8O and a molecular weight of 388.44 g/mol. Its IUPAC name is 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
PubChem CID56944901
Molecular FormulaC20H20N8O
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC Name5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine
SMILESCCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1
InChIInChI=1S/C20H20N8O/c1-2-28-12-14(10-25-28)17-26-18(27-29-17)20(6-3-7-20)15-4-5-16(22-11-15)13-8-23-19(21)24-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H2,21,23,24)
InChIKeyYMKBRMVJKNLMCP-UHFFFAOYSA-N
XLogP2.86
TPSA121.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine (CID 56944901) is 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is CCn1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)nc4)CCC3)no2)cn1.
What is the InChIKey of 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is YMKBRMVJKNLMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O/c1-2-28-12-14(10-25-28)17-26-18(27-29-17)20(6-3-7-20)15-4-5-16(22-11-15)13-8-23-19(21)24-9-13/h4-5,8-12H,2-3,6-7H2,1H3,(H2,21,23,24).
What are the key properties of 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine?
5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 388.44 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[1-[5-(1-ethylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 56944901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).