5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

C22H26N6O — CID 159270346

IUPAC5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C2=CCc3ccc(-c4nnc(NC(C)C)o4)cc32)nc(NC(C)C)n1
InChIInChI=1S/C22H26N6O/c1-12(2)23-21-25-14(5)10-19(26-21)17-9-8-15-6-7-16(11-18(15)17)20-27-28-22(29-20)24-13(3)4/h6-7,9-13H,8H2,1-5H3,(H,24,28)(H,23,25,26)
InChIKeyLCPKOENEHTUUJD-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.46
Rot. Bonds6

About 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine

5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (PubChem CID 159270346) has the molecular formula C22H26N6O and a molecular weight of 390.49 g/mol. Its IUPAC name is 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
PubChem CID159270346
Molecular FormulaC22H26N6O
Molecular Weight390.49 g/mol
Exact Mass390.22
IUPAC Name5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine
SMILESCc1cc(C2=CCc3ccc(-c4nnc(NC(C)C)o4)cc32)nc(NC(C)C)n1
InChIInChI=1S/C22H26N6O/c1-12(2)23-21-25-14(5)10-19(26-21)17-9-8-15-6-7-16(11-18(15)17)20-27-28-22(29-20)24-13(3)4/h6-7,9-13H,8H2,1-5H3,(H,24,28)(H,23,25,26)
InChIKeyLCPKOENEHTUUJD-UHFFFAOYSA-N
XLogP4.46
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine (CID 159270346) is 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is Cc1cc(C2=CCc3ccc(-c4nnc(NC(C)C)o4)cc32)nc(NC(C)C)n1.
What is the InChIKey of 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
The InChIKey is LCPKOENEHTUUJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O/c1-12(2)23-21-25-14(5)10-19(26-21)17-9-8-15-6-7-16(11-18(15)17)20-27-28-22(29-20)24-13(3)4/h6-7,9-13H,8H2,1-5H3,(H,24,28)(H,23,25,26).
What are the key properties of 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine?
5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine has a molecular weight of 390.49 g/mol, XLogP of 4.46, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[6-methyl-2-(propan-2-ylamino)pyrimidin-4-yl]-1H-inden-5-yl]-N-propan-2-yl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 159270346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).