4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine

C10H10N6O4 — CID 71500752

IUPAC4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc([N+](=O)[O-])cn2)nc(OC)n1
InChIInChI=1S/C10H10N6O4/c1-19-9-13-8(14-10(15-9)20-2)12-7-4-3-6(5-11-7)16(17)18/h3-5H,1-2H3,(H,11,12,13,14,15)
InChIKeyBZEUENKBTOKQGH-UHFFFAOYSA-N
MW278.23 g/mol
LogP0.94
Rot. Bonds5

About 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine

4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 71500752) has the molecular formula C10H10N6O4 and a molecular weight of 278.23 g/mol. Its IUPAC name is 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID71500752
Molecular FormulaC10H10N6O4
Molecular Weight278.23 g/mol
Exact Mass278.08
IUPAC Name4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine
SMILESCOc1nc(Nc2ccc([N+](=O)[O-])cn2)nc(OC)n1
InChIInChI=1S/C10H10N6O4/c1-19-9-13-8(14-10(15-9)20-2)12-7-4-3-6(5-11-7)16(17)18/h3-5H,1-2H3,(H,11,12,13,14,15)
InChIKeyBZEUENKBTOKQGH-UHFFFAOYSA-N
XLogP0.94
TPSA125.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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

N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418
2-N-methyl-5-N-(5-nitro-2-pyridinyl)pyridine-2,5-diamine
CID 47235500
4-methoxy-N-methyl-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80871960
N-[2-(4-methoxyphenyl)ethyl]-5-nitropyridin-2-amine
CID 2849092
N-(4-fluorophenyl)-5-nitropyridin-2-amine
CID 3146297
N-[1-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 51194316
methyl (2S)-2-[4-[(5-nitro-2-pyridinyl)amino]phenyl]propanoate
CID 125466945
N-(2,2-dimethylpropyl)-5-nitropyridin-2-amine
CID 59380857
N-[3-(4-methoxyphenyl)propyl]-5-nitropyridin-2-amine
CID 133287452
N-ethyl-4-methoxy-6-(4-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80879017
N-(5-nitro-2-pyridinyl)formamide
CID 91754326
N-[(6-methoxynaphthalen-2-yl)methyl]-5-nitropyridin-2-amine
CID 17416767

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine (CID 71500752) is 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine is COc1nc(Nc2ccc([N+](=O)[O-])cn2)nc(OC)n1.
What is the InChIKey of 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is BZEUENKBTOKQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O4/c1-19-9-13-8(14-10(15-9)20-2)12-7-4-3-6(5-11-7)16(17)18/h3-5H,1-2H3,(H,11,12,13,14,15).
What are the key properties of 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine?
4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 278.23 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-(5-nitro-2-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 71500752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).