5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine

C9H8N6O2 — CID 2960581

IUPAC5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N6O2/c10-8-7(15(16)17)9(13-5-12-8)14-6-3-1-2-4-11-6/h1-5H,(H3,10,11,12,13,14)
InChIKeyJRSCVGBMKGFJEP-UHFFFAOYSA-N
MW232.20 g/mol
LogP1.11
Rot. Bonds3

About 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine

5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 2960581) has the molecular formula C9H8N6O2 and a molecular weight of 232.20 g/mol. Its IUPAC name is 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
PubChem CID2960581
Molecular FormulaC9H8N6O2
Molecular Weight232.20 g/mol
Exact Mass232.07
IUPAC Name5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
SMILESNc1ncnc(Nc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C9H8N6O2/c10-8-7(15(16)17)9(13-5-12-8)14-6-3-1-2-4-11-6/h1-5H,(H3,10,11,12,13,14)
InChIKeyJRSCVGBMKGFJEP-UHFFFAOYSA-N
XLogP1.11
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-Nitropyridin-2-ylamine
CID 77887
2-Morpholino-5-nitropyridine
CID 96872
5-Nitro-2-piperidinopyridine
CID 97158
5-Nitro-N-phenylpyridin-2-amine
CID 81268
2-Benzylamino-5-nitropyridine
CID 261542
2-(2,4-Dinitrophenyl)aminopyridine
CID 2834447
2-Amino-5-nitropyridine
CID 77888
1-(3-Nitropyridin-2-yl)piperidine-4-carboxamide
CID 2805612
1-(3-Nitropyridin-2-yl)piperazine
CID 3778834
N-methyl-5-nitropyridin-2-amine
CID 265883
N-Methyl-3-nitro-2-pyridinamine
CID 556349
N,N-dimethyl-N'-(5-nitropyridin-2-yl)benzene-1,4-diamine
CID 3146301

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine (CID 2960581) is 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine is Nc1ncnc(Nc2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is JRSCVGBMKGFJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N6O2/c10-8-7(15(16)17)9(13-5-12-8)14-6-3-1-2-4-11-6/h1-5H,(H3,10,11,12,13,14).
What are the key properties of 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine?
5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 232.20 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 2960581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).