N',6-diamino-2-methylpyridine-3-carboximidamide

C7H11N5 — CID 168918327

IUPACN',6-diamino-2-methylpyridine-3-carboximidamide
SMILESCc1nc(N)ccc1/C(N)=N/N
InChIInChI=1S/C7H11N5/c1-4-5(7(9)12-10)2-3-6(8)11-4/h2-3H,10H2,1H3,(H2,8,11)(H2,9,12)
InChIKeyHELYPJXDGLFQFN-UHFFFAOYSA-N
MW165.20 g/mol
LogP-0.45
Rot. Bonds1

About N',6-diamino-2-methylpyridine-3-carboximidamide

N',6-diamino-2-methylpyridine-3-carboximidamide (PubChem CID 168918327) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is N',6-diamino-2-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN',6-diamino-2-methylpyridine-3-carboximidamide
PubChem CID168918327
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC NameN',6-diamino-2-methylpyridine-3-carboximidamide
SMILESCc1nc(N)ccc1/C(N)=N/N
InChIInChI=1S/C7H11N5/c1-4-5(7(9)12-10)2-3-6(8)11-4/h2-3H,10H2,1H3,(H2,8,11)(H2,9,12)
InChIKeyHELYPJXDGLFQFN-UHFFFAOYSA-N
XLogP-0.45
TPSA103.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N',2-diamino-4-methylpyrimidine-5-carboximidamide
CID 171396587
(6-amino-2-methyl-3-pyridinyl)-pyrrolidin-1-ylmethanone
CID 134507879
6-amino-2-methylpyridine-3-sulfonic acid
CID 97034584
N'-amino-5,6-dimethylpyridine-2-carboximidamide
CID 69378028
N',2-diaminobenzenecarboximidamide
CID 10307874
(E)-3-(6-amino-2-methyl-3-pyridinyl)prop-2-enamide
CID 144636929
(6-amino-2-methyl-3-pyridinyl)oxyboronic acid
CID 167529599
N,N'-diamino-6-bromo-2-methylpyridine-3-carboximidamide
CID 168939307
2,6-dimethylpyridine-3-carboxamide
CID 2824850
5-isoindol-2-yl-6-methylpyridin-2-amine
CID 175816328
(1R)-1-(6-amino-2-methyl-3-pyridinyl)propan-1-ol
CID 124502258
5-cyclopropyl-6-methylpyridin-2-amine
CID 79048984

Frequently Asked Questions

What is the IUPAC name of N',6-diamino-2-methylpyridine-3-carboximidamide?
The IUPAC name of N',6-diamino-2-methylpyridine-3-carboximidamide (CID 168918327) is N',6-diamino-2-methylpyridine-3-carboximidamide.
What is the SMILES notation for N',6-diamino-2-methylpyridine-3-carboximidamide?
The canonical SMILES for N',6-diamino-2-methylpyridine-3-carboximidamide is Cc1nc(N)ccc1/C(N)=N/N.
What is the InChIKey of N',6-diamino-2-methylpyridine-3-carboximidamide?
The InChIKey is HELYPJXDGLFQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5/c1-4-5(7(9)12-10)2-3-6(8)11-4/h2-3H,10H2,1H3,(H2,8,11)(H2,9,12).
What are the key properties of N',6-diamino-2-methylpyridine-3-carboximidamide?
N',6-diamino-2-methylpyridine-3-carboximidamide has a molecular weight of 165.20 g/mol, XLogP of -0.45, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',6-diamino-2-methylpyridine-3-carboximidamide is sourced from PubChem (CID 168918327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).