3-methanimidoyl-5-methylpyridine-2,4-diamine

C7H10N4 — CID 169111113

IUPAC3-methanimidoyl-5-methylpyridine-2,4-diamine
SMILES[H]/N=C/c1c(N)ncc(C)c1N
InChIInChI=1S/C7H10N4/c1-4-3-11-7(10)5(2-8)6(4)9/h2-3,8H,1H3,(H4,9,10,11)/b8-2+
InChIKeyNMMZCKXPJKUHFJ-KRXBUXKQSA-N
MW150.19 g/mol
LogP0.55
Rot. Bonds1

About 3-methanimidoyl-5-methylpyridine-2,4-diamine

3-methanimidoyl-5-methylpyridine-2,4-diamine (PubChem CID 169111113) has the molecular formula C7H10N4 and a molecular weight of 150.19 g/mol. Its IUPAC name is 3-methanimidoyl-5-methylpyridine-2,4-diamine.

Molecular Properties

Compound Name3-methanimidoyl-5-methylpyridine-2,4-diamine
PubChem CID169111113
Molecular FormulaC7H10N4
Molecular Weight150.19 g/mol
Exact Mass150.09
IUPAC Name3-methanimidoyl-5-methylpyridine-2,4-diamine
SMILES[H]/N=C/c1c(N)ncc(C)c1N
InChIInChI=1S/C7H10N4/c1-4-3-11-7(10)5(2-8)6(4)9/h2-3,8H,1H3,(H4,9,10,11)/b8-2+
InChIKeyNMMZCKXPJKUHFJ-KRXBUXKQSA-N
XLogP0.55
TPSA88.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-methanimidoyl-6-methylpyrimidin-4-amine
CID 87419378
ethane;3-methanimidoyl-4-methylpyridin-2-amine;molecular hydrogen
CID 143716531
6-tert-butyl-5-methanimidoylpyrimidin-4-amine
CID 177078672
6-bromo-4-methanimidoyl-5-methylpyridin-3-amine
CID 155134306
3-methanimidoyl-4-(2-methyl-3-pyridinyl)pyridin-2-amine
CID 143517698
ethane;2-methanimidoyl-3,4,5-trimethylaniline
CID 169182413
N-(4,6-diamino-5-methanimidoyl-3-pyridinyl)-N'-methyl-N'-[(1S)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 169111836
3-methanimidoyl-5-N,5-N-dimethylpyridine-2,5-diamine
CID 137372990
N-(4,6-diamino-5-methanimidoyl-3-pyridinyl)-N',N'-bis(pyridin-2-ylmethyl)oxamide
CID 169112049
3-chloro-2-methanimidoyl-4-methylaniline
CID 89070323
3-chloro-6-methanimidoyl-2-methylaniline
CID 146551332
2-methanimidoyl-3-methylaniline;molecular hydrogen;hydroiodide
CID 145060284

Frequently Asked Questions

What is the IUPAC name of 3-methanimidoyl-5-methylpyridine-2,4-diamine?
The IUPAC name of 3-methanimidoyl-5-methylpyridine-2,4-diamine (CID 169111113) is 3-methanimidoyl-5-methylpyridine-2,4-diamine.
What is the SMILES notation for 3-methanimidoyl-5-methylpyridine-2,4-diamine?
The canonical SMILES for 3-methanimidoyl-5-methylpyridine-2,4-diamine is [H]/N=C/c1c(N)ncc(C)c1N.
What is the InChIKey of 3-methanimidoyl-5-methylpyridine-2,4-diamine?
The InChIKey is NMMZCKXPJKUHFJ-KRXBUXKQSA-N. The full InChI is InChI=1S/C7H10N4/c1-4-3-11-7(10)5(2-8)6(4)9/h2-3,8H,1H3,(H4,9,10,11)/b8-2+.
What are the key properties of 3-methanimidoyl-5-methylpyridine-2,4-diamine?
3-methanimidoyl-5-methylpyridine-2,4-diamine has a molecular weight of 150.19 g/mol, XLogP of 0.55, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methanimidoyl-5-methylpyridine-2,4-diamine is sourced from PubChem (CID 169111113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).