1-methyl-2H-pyridine-2,4-diamine

C6H11N3 — CID 152784170

IUPAC1-methyl-2H-pyridine-2,4-diamine
SMILESCN1C=CC(N)=CC1N
InChIInChI=1S/C6H11N3/c1-9-3-2-5(7)4-6(9)8/h2-4,6H,7-8H2,1H3
InChIKeyRUKJKNOSURSIKE-UHFFFAOYSA-N
MW125.17 g/mol
LogP-0.43
Rot. Bonds

About 1-methyl-2H-pyridine-2,4-diamine

1-methyl-2H-pyridine-2,4-diamine (PubChem CID 152784170) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 1-methyl-2H-pyridine-2,4-diamine.

Molecular Properties

Compound Name1-methyl-2H-pyridine-2,4-diamine
PubChem CID152784170
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name1-methyl-2H-pyridine-2,4-diamine
SMILESCN1C=CC(N)=CC1N
InChIInChI=1S/C6H11N3/c1-9-3-2-5(7)4-6(9)8/h2-4,6H,7-8H2,1H3
InChIKeyRUKJKNOSURSIKE-UHFFFAOYSA-N
XLogP-0.43
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2H-pyridine-2,4-diamine?
The IUPAC name of 1-methyl-2H-pyridine-2,4-diamine (CID 152784170) is 1-methyl-2H-pyridine-2,4-diamine.
What is the SMILES notation for 1-methyl-2H-pyridine-2,4-diamine?
The canonical SMILES for 1-methyl-2H-pyridine-2,4-diamine is CN1C=CC(N)=CC1N.
What is the InChIKey of 1-methyl-2H-pyridine-2,4-diamine?
The InChIKey is RUKJKNOSURSIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-9-3-2-5(7)4-6(9)8/h2-4,6H,7-8H2,1H3.
What are the key properties of 1-methyl-2H-pyridine-2,4-diamine?
1-methyl-2H-pyridine-2,4-diamine has a molecular weight of 125.17 g/mol, XLogP of -0.43, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2H-pyridine-2,4-diamine is sourced from PubChem (CID 152784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).