[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol

C14H17N3O2 — CID 66466375

IUPAC[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
SMILESCOc1ccccc1CN(C)c1cncc(CO)n1
InChIInChI=1S/C14H17N3O2/c1-17(14-8-15-7-12(10-18)16-14)9-11-5-3-4-6-13(11)19-2/h3-8,18H,9-10H2,1-2H3
InChIKeyHICXFQKHRGHHBP-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.61
Rot. Bonds5

About [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol

[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol (PubChem CID 66466375) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol.

Molecular Properties

Compound Name[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
PubChem CID66466375
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol
SMILESCOc1ccccc1CN(C)c1cncc(CO)n1
InChIInChI=1S/C14H17N3O2/c1-17(14-8-15-7-12(10-18)16-14)9-11-5-3-4-6-13(11)19-2/h3-8,18H,9-10H2,1-2H3
InChIKeyHICXFQKHRGHHBP-UHFFFAOYSA-N
XLogP1.61
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol?
The IUPAC name of [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol (CID 66466375) is [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol.
What is the SMILES notation for [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol?
The canonical SMILES for [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol is COc1ccccc1CN(C)c1cncc(CO)n1.
What is the InChIKey of [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol?
The InChIKey is HICXFQKHRGHHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-17(14-8-15-7-12(10-18)16-14)9-11-5-3-4-6-13(11)19-2/h3-8,18H,9-10H2,1-2H3.
What are the key properties of [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol?
[6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol has a molecular weight of 259.31 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-methoxyphenyl)methyl-methylamino]pyrazin-2-yl]methanol is sourced from PubChem (CID 66466375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).