6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine

C8H12N4 — CID 162364116

IUPAC6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine
SMILES[H]/N=C/n1cc(NC)cc(C)/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-6-3-7(11-2)4-12(5-9)8(6)10/h3-5,9-11H,1-2H3/b9-5+,10-8+
InChIKeyXWTOXTSCLOHYDC-MUDDOMJDSA-N
MW164.21 g/mol
LogP0.77
Rot. Bonds2

About 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine

6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine (PubChem CID 162364116) has the molecular formula C8H12N4 and a molecular weight of 164.21 g/mol. Its IUPAC name is 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine.

Molecular Properties

Compound Name6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine
PubChem CID162364116
Molecular FormulaC8H12N4
Molecular Weight164.21 g/mol
Exact Mass164.11
IUPAC Name6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine
SMILES[H]/N=C/n1cc(NC)cc(C)/c1=N\[H]
InChIInChI=1S/C8H12N4/c1-6-3-7(11-2)4-12(5-9)8(6)10/h3-5,9-11H,1-2H3/b9-5+,10-8+
InChIKeyXWTOXTSCLOHYDC-MUDDOMJDSA-N
XLogP0.77
TPSA64.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,2-Difluoroethanimidoyl)-6-imino-5-methylpyridin-3-amine
CID 144749911
1-Methanimidoyl-3-methylpyridin-2-imine
CID 124030584
6-imino-1-methanimidoyl-N-methylpyridin-3-amine
CID 146317973
Ethane;6-imino-1-methanimidoylpyridin-3-amine
CID 166097056
(2Z)-N-methylidene-2-(1H-pyrimidin-6-ylidene)propanimidamide
CID 172251311
N,N,2-trimethyl-3-[[(3E)-penta-1,3-dien-2-yl]amino]prop-2-enimidamide
CID 173482251
2-(6-Imino-3,5-dimethylpyrimidin-4-yl)ethenamine
CID 174072040
Ethane;1-methanimidoyl-3-methylpyridin-2-imine
CID 177143805
1-ethanimidoyl-6-imino-N-methylpyridin-3-amine
CID 176944300

Frequently Asked Questions

What is the IUPAC name of 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine?
The IUPAC name of 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine (CID 162364116) is 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine.
What is the SMILES notation for 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine?
The canonical SMILES for 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine is [H]/N=C/n1cc(NC)cc(C)/c1=N\[H].
What is the InChIKey of 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine?
The InChIKey is XWTOXTSCLOHYDC-MUDDOMJDSA-N. The full InChI is InChI=1S/C8H12N4/c1-6-3-7(11-2)4-12(5-9)8(6)10/h3-5,9-11H,1-2H3/b9-5+,10-8+.
What are the key properties of 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine?
6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine has a molecular weight of 164.21 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methanimidoyl-N,5-dimethylpyridin-3-amine is sourced from PubChem (CID 162364116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).