2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine

C11H12N4 — CID 90421551

IUPAC2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine
SMILESCc1ccc(-c2nccc(N)c2N)nc1
InChIInChI=1S/C11H12N4/c1-7-2-3-9(15-6-7)11-10(13)8(12)4-5-14-11/h2-6H,13H2,1H3,(H2,12,14)
InChIKeyOJBXEURWMRDTFH-UHFFFAOYSA-N
MW200.25 g/mol
LogP1.62
Rot. Bonds1

About 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine

2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine (PubChem CID 90421551) has the molecular formula C11H12N4 and a molecular weight of 200.25 g/mol. Its IUPAC name is 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine
PubChem CID90421551
Molecular FormulaC11H12N4
Molecular Weight200.25 g/mol
Exact Mass200.11
IUPAC Name2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine
SMILESCc1ccc(-c2nccc(N)c2N)nc1
InChIInChI=1S/C11H12N4/c1-7-2-3-9(15-6-7)11-10(13)8(12)4-5-14-11/h2-6H,13H2,1H3,(H2,12,14)
InChIKeyOJBXEURWMRDTFH-UHFFFAOYSA-N
XLogP1.62
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine?
The IUPAC name of 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine (CID 90421551) is 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine?
The canonical SMILES for 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine is Cc1ccc(-c2nccc(N)c2N)nc1.
What is the InChIKey of 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine?
The InChIKey is OJBXEURWMRDTFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-7-2-3-9(15-6-7)11-10(13)8(12)4-5-14-11/h2-6H,13H2,1H3,(H2,12,14).
What are the key properties of 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine?
2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine has a molecular weight of 200.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-pyridinyl)pyridine-3,4-diamine is sourced from PubChem (CID 90421551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).