3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol

C15H23N5O2 — CID 123910770

IUPAC3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol
SMILESCc1nc(C2=NC(C)(O)ON2)nc(NC(C)C2CCC2)c1C
InChIInChI=1S/C15H23N5O2/c1-8-9(2)16-13(14-19-15(4,21)22-20-14)18-12(8)17-10(3)11-6-5-7-11/h10-11,21H,5-7H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyLOOUJQGIBZONDR-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.64
Rot. Bonds4

About 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol

3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol (PubChem CID 123910770) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol.

Molecular Properties

Compound Name3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol
PubChem CID123910770
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol
SMILESCc1nc(C2=NC(C)(O)ON2)nc(NC(C)C2CCC2)c1C
InChIInChI=1S/C15H23N5O2/c1-8-9(2)16-13(14-19-15(4,21)22-20-14)18-12(8)17-10(3)11-6-5-7-11/h10-11,21H,5-7H2,1-4H3,(H,19,20)(H,16,17,18)
InChIKeyLOOUJQGIBZONDR-UHFFFAOYSA-N
XLogP1.64
TPSA91.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol?
The IUPAC name of 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol (CID 123910770) is 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol.
What is the SMILES notation for 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol?
The canonical SMILES for 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol is Cc1nc(C2=NC(C)(O)ON2)nc(NC(C)C2CCC2)c1C.
What is the InChIKey of 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol?
The InChIKey is LOOUJQGIBZONDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-8-9(2)16-13(14-19-15(4,21)22-20-14)18-12(8)17-10(3)11-6-5-7-11/h10-11,21H,5-7H2,1-4H3,(H,19,20)(H,16,17,18).
What are the key properties of 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol?
3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol has a molecular weight of 305.38 g/mol, XLogP of 1.64, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-cyclobutylethylamino)-5,6-dimethylpyrimidin-2-yl]-5-methyl-2H-1,2,4-oxadiazol-5-ol is sourced from PubChem (CID 123910770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).