(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol

C13H24N2O2 — CID 170262748

IUPAC(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol
SMILESCOC1=N[C@H](C(C)C)C(C)=N[C@H]1[C@H](O)C(C)C
InChIInChI=1S/C13H24N2O2/c1-7(2)10-9(5)14-11(12(16)8(3)4)13(15-10)17-6/h7-8,10-12,16H,1-6H3/t10-,11+,12-/m1/s1
InChIKeyVUXWYYPADRQPAR-GRYCIOLGSA-N
MW240.35 g/mol
LogP1.92
Rot. Bonds3

About (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol

(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol (PubChem CID 170262748) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol.

Molecular Properties

Compound Name(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol
PubChem CID170262748
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol
SMILESCOC1=N[C@H](C(C)C)C(C)=N[C@H]1[C@H](O)C(C)C
InChIInChI=1S/C13H24N2O2/c1-7(2)10-9(5)14-11(12(16)8(3)4)13(15-10)17-6/h7-8,10-12,16H,1-6H3/t10-,11+,12-/m1/s1
InChIKeyVUXWYYPADRQPAR-GRYCIOLGSA-N
XLogP1.92
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol?
The IUPAC name of (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol (CID 170262748) is (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol.
What is the SMILES notation for (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol?
The canonical SMILES for (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol is COC1=N[C@H](C(C)C)C(C)=N[C@H]1[C@H](O)C(C)C.
What is the InChIKey of (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol?
The InChIKey is VUXWYYPADRQPAR-GRYCIOLGSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-7(2)10-9(5)14-11(12(16)8(3)4)13(15-10)17-6/h7-8,10-12,16H,1-6H3/t10-,11+,12-/m1/s1.
What are the key properties of (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol?
(1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol has a molecular weight of 240.35 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5R)-3-methoxy-6-methyl-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-2-methylpropan-1-ol is sourced from PubChem (CID 170262748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).