2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

C15H19N5O2 — CID 164637370

IUPAC2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCC1(C)CC[C@@H](c2nc(-c3cnc(C4CC4)nc3N)no2)O1
InChIInChI=1S/C15H19N5O2/c1-15(2)6-5-10(21-15)14-19-13(20-22-14)9-7-17-12(8-3-4-8)18-11(9)16/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18)/t10-/m0/s1
InChIKeyNMZOVELIVOWDEH-JTQLQIEISA-N
MW301.35 g/mol
LogP2.62
Rot. Bonds3

About 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine

2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (PubChem CID 164637370) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
PubChem CID164637370
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine
SMILESCC1(C)CC[C@@H](c2nc(-c3cnc(C4CC4)nc3N)no2)O1
InChIInChI=1S/C15H19N5O2/c1-15(2)6-5-10(21-15)14-19-13(20-22-14)9-7-17-12(8-3-4-8)18-11(9)16/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18)/t10-/m0/s1
InChIKeyNMZOVELIVOWDEH-JTQLQIEISA-N
XLogP2.62
TPSA99.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine (CID 164637370) is 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is CC1(C)CC[C@@H](c2nc(-c3cnc(C4CC4)nc3N)no2)O1.
What is the InChIKey of 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
The InChIKey is NMZOVELIVOWDEH-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N5O2/c1-15(2)6-5-10(21-15)14-19-13(20-22-14)9-7-17-12(8-3-4-8)18-11(9)16/h7-8,10H,3-6H2,1-2H3,(H2,16,17,18)/t10-/m0/s1.
What are the key properties of 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine?
2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine has a molecular weight of 301.35 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-[5-[(2S)-5,5-dimethyloxolan-2-yl]-1,2,4-oxadiazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 164637370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).