2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol

C14H17N3O — CID 60634143

IUPAC2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
SMILESCc1cnc(C)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-10-8-15-11(2)14(17-10)16-9-13(18)12-6-4-3-5-7-12/h3-8,13,18H,9H2,1-2H3,(H,16,17)
InChIKeyHNPKFJXLYWZRFM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.24
Rot. Bonds4

About 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol

2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol (PubChem CID 60634143) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol.

Molecular Properties

Compound Name2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
PubChem CID60634143
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol
SMILESCc1cnc(C)c(NCC(O)c2ccccc2)n1
InChIInChI=1S/C14H17N3O/c1-10-8-15-11(2)14(17-10)16-9-13(18)12-6-4-3-5-7-12/h3-8,13,18H,9H2,1-2H3,(H,16,17)
InChIKeyHNPKFJXLYWZRFM-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol?
The IUPAC name of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol (CID 60634143) is 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol.
What is the SMILES notation for 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol?
The canonical SMILES for 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol is Cc1cnc(C)c(NCC(O)c2ccccc2)n1.
What is the InChIKey of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol?
The InChIKey is HNPKFJXLYWZRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-8-15-11(2)14(17-10)16-9-13(18)12-6-4-3-5-7-12/h3-8,13,18H,9H2,1-2H3,(H,16,17).
What are the key properties of 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol?
2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol has a molecular weight of 243.31 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,6-dimethylpyrazin-2-yl)amino]-1-phenylethanol is sourced from PubChem (CID 60634143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).