6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine

C14H18N4O — CID 102903466

IUPAC6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
SMILESCOCCc1ccccc1Nc1ccc(N)c(N)n1
InChIInChI=1S/C14H18N4O/c1-19-9-8-10-4-2-3-5-12(10)17-13-7-6-11(15)14(16)18-13/h2-7H,8-9,15H2,1H3,(H3,16,17,18)
InChIKeyAHQLCMMYLPPCBD-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.18
Rot. Bonds5

About 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine

6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine (PubChem CID 102903466) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
PubChem CID102903466
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine
SMILESCOCCc1ccccc1Nc1ccc(N)c(N)n1
InChIInChI=1S/C14H18N4O/c1-19-9-8-10-4-2-3-5-12(10)17-13-7-6-11(15)14(16)18-13/h2-7H,8-9,15H2,1H3,(H3,16,17,18)
InChIKeyAHQLCMMYLPPCBD-UHFFFAOYSA-N
XLogP2.18
TPSA86.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine?
The IUPAC name of 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine (CID 102903466) is 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine is COCCc1ccccc1Nc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine?
The InChIKey is AHQLCMMYLPPCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-19-9-8-10-4-2-3-5-12(10)17-13-7-6-11(15)14(16)18-13/h2-7H,8-9,15H2,1H3,(H3,16,17,18).
What are the key properties of 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine?
6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine has a molecular weight of 258.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-(2-methoxyethyl)phenyl]pyridine-2,3,6-triamine is sourced from PubChem (CID 102903466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).