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

C14H11N7O2 — CID 3623508

IUPAC5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1ccccn1
InChIInChI=1S/C14H11N7O2/c22-21(23)12-13(19-10-5-1-3-7-15-10)17-9-18-14(12)20-11-6-2-4-8-16-11/h1-9H,(H2,15,16,17,18,19,20)
InChIKeyZNWNLMYGMUBKBC-UHFFFAOYSA-N
MW309.29 g/mol
LogP2.66
Rot. Bonds5

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

5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine (PubChem CID 3623508) has the molecular formula C14H11N7O2 and a molecular weight of 309.29 g/mol. Its IUPAC name is 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
PubChem CID3623508
Molecular FormulaC14H11N7O2
Molecular Weight309.29 g/mol
Exact Mass309.10
IUPAC Name5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine
SMILESO=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1ccccn1
InChIInChI=1S/C14H11N7O2/c22-21(23)12-13(19-10-5-1-3-7-15-10)17-9-18-14(12)20-11-6-2-4-8-16-11/h1-9H,(H2,15,16,17,18,19,20)
InChIKeyZNWNLMYGMUBKBC-UHFFFAOYSA-N
XLogP2.66
TPSA118.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

5-nitro-4-N-pyridin-2-yl-6-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527227
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531059
6-N-(2-methoxyethyl)-5-nitro-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531057
N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]-2,2-diphenylacetohydrazide
CID 22531084
4-nitro-N'-[5-nitro-6-(pyridin-2-ylamino)pyrimidin-4-yl]benzohydrazide
CID 22531067
6-(2-methoxyphenoxy)-5-nitro-N-pyridin-2-ylpyrimidin-4-amine
CID 22531140
4-N-(5-chloro-2,4-dimethoxyphenyl)-5-nitro-6-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 22531105
silver;tetrakis(N-pyridin-2-ylpyridin-2-amine);nitrate
CID 139086290
3,5-dinitro-2-N,6-N-dipyridin-2-ylpyridine-2,6-diamine
CID 2846765
6-methyl-5-nitro-2-N,4-N-dipyridin-2-ylpyrimidine-2,4-diamine
CID 4657246
4-N,6-N-dipyridin-2-ylpyrimidine-4,5,6-triamine
CID 19146945
N'-[6-[(5-methyl-2-pyridinyl)amino]-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22536714

Frequently Asked Questions

What is the IUPAC name of 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine (CID 3623508) is 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine is O=[N+]([O-])c1c(Nc2ccccn2)ncnc1Nc1ccccn1.
What is the InChIKey of 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine?
The InChIKey is ZNWNLMYGMUBKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N7O2/c22-21(23)12-13(19-10-5-1-3-7-15-10)17-9-18-14(12)20-11-6-2-4-8-16-11/h1-9H,(H2,15,16,17,18,19,20).
What are the key properties of 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine?
5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine has a molecular weight of 309.29 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-4-N,6-N-dipyridin-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 3623508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).