2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol

C19H26N2O2 — CID 160971479

IUPAC2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol
SMILESCCC(CO)Cc1cncc(-c2cc(C(C)C)ccc2OC)n1
InChIInChI=1S/C19H26N2O2/c1-5-14(12-22)8-16-10-20-11-18(21-16)17-9-15(13(2)3)6-7-19(17)23-4/h6-7,9-11,13-14,22H,5,8,12H2,1-4H3
InChIKeySYHSCTSPZRTUDG-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.84
Rot. Bonds7

About 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol

2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol (PubChem CID 160971479) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol.

Molecular Properties

Compound Name2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol
PubChem CID160971479
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol
SMILESCCC(CO)Cc1cncc(-c2cc(C(C)C)ccc2OC)n1
InChIInChI=1S/C19H26N2O2/c1-5-14(12-22)8-16-10-20-11-18(21-16)17-9-15(13(2)3)6-7-19(17)23-4/h6-7,9-11,13-14,22H,5,8,12H2,1-4H3
InChIKeySYHSCTSPZRTUDG-UHFFFAOYSA-N
XLogP3.84
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-5-propan-2-ylphenyl)methyl]butan-1-ol
CID 116930752
[5-(2-methoxy-4-propan-2-ylphenyl)-1H-imidazol-2-yl]methanol
CID 116878297
3-[(2R)-1-hydroxy-3-methylbutan-2-yl]-5-(2-methoxy-5-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699632
3-(2-methoxy-5-propan-2-ylphenyl)-1-methylpyrazole
CID 170591096
6-(2-methoxy-5-propan-2-ylphenyl)-N-methylpyrimidin-4-amine
CID 82483020
6-(2-methoxy-5-propan-2-ylphenyl)pyrimidine-4-carboxylic acid
CID 82306293
6-(2-methoxy-5-propan-2-ylphenyl)-3-methyl-1,2,4-triazin-5-amine
CID 116823436
5-(2-methoxy-5-propan-2-ylphenyl)-2,6-dimethylpyrimidin-4-amine
CID 95474423
5-[(2R)-1-hydroxy-3-methylbutan-2-yl]-6-(2-methoxy-5-propan-2-ylphenyl)-1,3-dihydroimidazo[4,5-b]pyrazin-2-one
CID 123388941
2-[(2,5-dimethoxyphenyl)methyl]butan-1-ol
CID 116930738
2,3-diamino-3-(2-methoxy-5-propan-2-ylphenyl)propan-1-ol
CID 116942352
2-[3-(2-methoxy-5-propan-2-ylphenyl)-1H-pyrazol-5-yl]acetic acid
CID 82489022

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol?
The IUPAC name of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol (CID 160971479) is 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol.
What is the SMILES notation for 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol?
The canonical SMILES for 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol is CCC(CO)Cc1cncc(-c2cc(C(C)C)ccc2OC)n1.
What is the InChIKey of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol?
The InChIKey is SYHSCTSPZRTUDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-5-14(12-22)8-16-10-20-11-18(21-16)17-9-15(13(2)3)6-7-19(17)23-4/h6-7,9-11,13-14,22H,5,8,12H2,1-4H3.
What are the key properties of 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol?
2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol has a molecular weight of 314.43 g/mol, XLogP of 3.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(2-methoxy-5-propan-2-ylphenyl)pyrazin-2-yl]methyl]butan-1-ol is sourced from PubChem (CID 160971479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).