[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol

C14H17N3O — CID 65419281

IUPAC[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
SMILESCc1cnc(C)c(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H17N3O/c1-10-7-15-11(2)14(17-10)16-8-12-4-3-5-13(6-12)9-18/h3-7,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyJOHLDZUMMXORPI-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds4

About [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol

[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol (PubChem CID 65419281) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol.

Molecular Properties

Compound Name[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
PubChem CID65419281
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
SMILESCc1cnc(C)c(NCc2cccc(CO)c2)n1
InChIInChI=1S/C14H17N3O/c1-10-7-15-11(2)14(17-10)16-8-12-4-3-5-13(6-12)9-18/h3-7,18H,8-9H2,1-2H3,(H,16,17)
InChIKeyJOHLDZUMMXORPI-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(chloromethyl)phenyl]methyl]-3,6-dimethylpyrazin-2-amine
CID 65028743
[3-[[(5,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol
CID 114476788
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenol
CID 113442355
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
N-[2-(dimethylamino)ethyl]-3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]benzamide
CID 133469974
[3-[[(5-bromo-3-methyl-2-pyridinyl)amino]methyl]phenyl]methanol
CID 79718432
2-[[3-(hydroxymethyl)phenyl]methylamino]-5,6-dimethylpyridine-3-carbonitrile
CID 131894195
[3-[[(6-chloro-5-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 114156936
[3-[[(6-chloro-2,5-dimethylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197097
3,6-dimethyl-N-(2-phenylethyl)pyrazin-2-amine
CID 60631499
3,6-dimethyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyrazin-2-amine
CID 60699153
[3-[[(5-bromo-2-chloropyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 106197115

Frequently Asked Questions

What is the IUPAC name of [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol?
The IUPAC name of [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol (CID 65419281) is [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol.
What is the SMILES notation for [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol?
The canonical SMILES for [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol is Cc1cnc(C)c(NCc2cccc(CO)c2)n1.
What is the InChIKey of [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol?
The InChIKey is JOHLDZUMMXORPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-7-15-11(2)14(17-10)16-8-12-4-3-5-13(6-12)9-18/h3-7,18H,8-9H2,1-2H3,(H,16,17).
What are the key properties of [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol?
[3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol has a molecular weight of 243.31 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]phenyl]methanol is sourced from PubChem (CID 65419281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).