4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine

C15H22N6O2 — CID 39819410

IUPAC4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCC[C@H](c3nc(C(C)C)no3)C2)nc(N)n1
InChIInChI=1S/C15H22N6O2/c1-9(2)13-19-14(23-20-13)10-5-4-6-21(8-10)11-7-12(22-3)18-15(16)17-11/h7,9-10H,4-6,8H2,1-3H3,(H2,16,17,18)/t10-/m0/s1
InChIKeyHYGPOLXYWFVLLU-JTQLQIEISA-N
MW318.38 g/mol
LogP1.96
Rot. Bonds4

About 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine

4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine (PubChem CID 39819410) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
PubChem CID39819410
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine
SMILESCOc1cc(N2CCC[C@H](c3nc(C(C)C)no3)C2)nc(N)n1
InChIInChI=1S/C15H22N6O2/c1-9(2)13-19-14(23-20-13)10-5-4-6-21(8-10)11-7-12(22-3)18-15(16)17-11/h7,9-10H,4-6,8H2,1-3H3,(H2,16,17,18)/t10-/m0/s1
InChIKeyHYGPOLXYWFVLLU-JTQLQIEISA-N
XLogP1.96
TPSA103.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine (CID 39819410) is 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine is COc1cc(N2CCC[C@H](c3nc(C(C)C)no3)C2)nc(N)n1.
What is the InChIKey of 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is HYGPOLXYWFVLLU-JTQLQIEISA-N. The full InChI is InChI=1S/C15H22N6O2/c1-9(2)13-19-14(23-20-13)10-5-4-6-21(8-10)11-7-12(22-3)18-15(16)17-11/h7,9-10H,4-6,8H2,1-3H3,(H2,16,17,18)/t10-/m0/s1.
What are the key properties of 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine?
4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 318.38 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-[(3S)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 39819410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).