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

C19H18N8O — CID 66828300

IUPAC5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)n[nH]1
InChIInChI=1S/C19H18N8O/c1-11-7-14(26-25-11)16-24-17(27-28-16)19(5-2-6-19)15-4-3-12(8-21-15)13-9-22-18(20)23-10-13/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23)
InChIKeyIICYJPSPLINCAL-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.67
Rot. Bonds4

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

5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine (PubChem CID 66828300) has the molecular formula C19H18N8O and a molecular weight of 374.41 g/mol. Its IUPAC name is 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
PubChem CID66828300
Molecular FormulaC19H18N8O
Molecular Weight374.41 g/mol
Exact Mass374.16
IUPAC Name5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine
SMILESCc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)n[nH]1
InChIInChI=1S/C19H18N8O/c1-11-7-14(26-25-11)16-24-17(27-28-16)19(5-2-6-19)15-4-3-12(8-21-15)13-9-22-18(20)23-10-13/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23)
InChIKeyIICYJPSPLINCAL-UHFFFAOYSA-N
XLogP2.67
TPSA132.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine (CID 66828300) is 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine is Cc1cc(-c2nc(C3(c4ccc(-c5cnc(N)nc5)cn4)CCC3)no2)n[nH]1.
What is the InChIKey of 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is IICYJPSPLINCAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8O/c1-11-7-14(26-25-11)16-24-17(27-28-16)19(5-2-6-19)15-4-3-12(8-21-15)13-9-22-18(20)23-10-13/h3-4,7-10H,2,5-6H2,1H3,(H,25,26)(H2,20,22,23).
What are the key properties of 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine?
5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 374.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[1-[5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 66828300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).