2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol

C16H17N5O — CID 86818491

IUPAC2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol
SMILESCc1nccn1-c1cncc(N(C)Cc2ccccc2O)n1
InChIInChI=1S/C16H17N5O/c1-12-18-7-8-21(12)16-10-17-9-15(19-16)20(2)11-13-5-3-4-6-14(13)22/h3-10,22H,11H2,1-2H3
InChIKeyURLVCZGHDFDLQS-UHFFFAOYSA-N
MW295.35 g/mol
LogP2.31
Rot. Bonds4

About 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol

2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol (PubChem CID 86818491) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol.

Molecular Properties

Compound Name2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol
PubChem CID86818491
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC Name2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol
SMILESCc1nccn1-c1cncc(N(C)Cc2ccccc2O)n1
InChIInChI=1S/C16H17N5O/c1-12-18-7-8-21(12)16-10-17-9-15(19-16)20(2)11-13-5-3-4-6-14(13)22/h3-10,22H,11H2,1-2H3
InChIKeyURLVCZGHDFDLQS-UHFFFAOYSA-N
XLogP2.31
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol?
The IUPAC name of 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol (CID 86818491) is 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol.
What is the SMILES notation for 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol?
The canonical SMILES for 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol is Cc1nccn1-c1cncc(N(C)Cc2ccccc2O)n1.
What is the InChIKey of 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol?
The InChIKey is URLVCZGHDFDLQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-12-18-7-8-21(12)16-10-17-9-15(19-16)20(2)11-13-5-3-4-6-14(13)22/h3-10,22H,11H2,1-2H3.
What are the key properties of 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol?
2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol has a molecular weight of 295.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl-[6-(2-methylimidazol-1-yl)pyrazin-2-yl]amino]methyl]phenol is sourced from PubChem (CID 86818491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).