(R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol

C16H22N2O3 — CID 11437749

IUPAC(R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-10(2)12-15(20-3)18-13(16(17-12)21-4)14(19)11-8-6-5-7-9-11/h5-10,12-14,19H,1-4H3/t12-,13+,14-/m1/s1
InChIKeyXWAGSJZELWNQAD-HZSPNIEDSA-N
MW290.36 g/mol
LogP2.22
Rot. Bonds3

About (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol

(R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol (PubChem CID 11437749) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol.

Molecular Properties

Compound Name(R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol
PubChem CID11437749
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name(R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol
SMILESCOC1=N[C@H](C(C)C)C(OC)=N[C@H]1[C@H](O)c1ccccc1
InChIInChI=1S/C16H22N2O3/c1-10(2)12-15(20-3)18-13(16(17-12)21-4)14(19)11-8-6-5-7-9-11/h5-10,12-14,19H,1-4H3/t12-,13+,14-/m1/s1
InChIKeyXWAGSJZELWNQAD-HZSPNIEDSA-N
XLogP2.22
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol?
The IUPAC name of (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol (CID 11437749) is (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol.
What is the SMILES notation for (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol?
The canonical SMILES for (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol is COC1=N[C@H](C(C)C)C(OC)=N[C@H]1[C@H](O)c1ccccc1.
What is the InChIKey of (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol?
The InChIKey is XWAGSJZELWNQAD-HZSPNIEDSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10(2)12-15(20-3)18-13(16(17-12)21-4)14(19)11-8-6-5-7-9-11/h5-10,12-14,19H,1-4H3/t12-,13+,14-/m1/s1.
What are the key properties of (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol?
(R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol has a molecular weight of 290.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-[(2S,5R)-3,6-dimethoxy-5-propan-2-yl-2,5-dihydropyrazin-2-yl]-phenylmethanol is sourced from PubChem (CID 11437749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).