6-but-3-enoxy-5-nitropyrimidin-4-amine

C8H10N4O3 — CID 80861263

IUPAC6-but-3-enoxy-5-nitropyrimidin-4-amine
SMILESC=CCCOc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-2-3-4-15-8-6(12(13)14)7(9)10-5-11-8/h2,5H,1,3-4H2,(H2,9,10,11)
InChIKeyIOYOREZCSDPPMI-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.92
Rot. Bonds5

About 6-but-3-enoxy-5-nitropyrimidin-4-amine

6-but-3-enoxy-5-nitropyrimidin-4-amine (PubChem CID 80861263) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is 6-but-3-enoxy-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-but-3-enoxy-5-nitropyrimidin-4-amine
PubChem CID80861263
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name6-but-3-enoxy-5-nitropyrimidin-4-amine
SMILESC=CCCOc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C8H10N4O3/c1-2-3-4-15-8-6(12(13)14)7(9)10-5-11-8/h2,5H,1,3-4H2,(H2,9,10,11)
InChIKeyIOYOREZCSDPPMI-UHFFFAOYSA-N
XLogP0.92
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-nitro-6-prop-2-enoxypyrimidin-4-amine
CID 80868030
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
CID 104568154
6-but-3-enoxy-5-ethylpyrimidin-4-amine
CID 80862301
6-but-3-enoxy-5-nitropyridin-2-amine
CID 80862118
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095
6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
5-nitro-6-(1-phenylethoxy)pyrimidin-4-amine
CID 80860205
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
CID 80879584
2-(6-hydrazinyl-5-nitropyrimidin-4-yl)oxyethanol
CID 80912433
2-but-3-enoxy-6-chloro-3-nitropyridine
CID 43152639
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-5-nitropyrimidin-4-amine?
The IUPAC name of 6-but-3-enoxy-5-nitropyrimidin-4-amine (CID 80861263) is 6-but-3-enoxy-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-but-3-enoxy-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-but-3-enoxy-5-nitropyrimidin-4-amine is C=CCCOc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-but-3-enoxy-5-nitropyrimidin-4-amine?
The InChIKey is IOYOREZCSDPPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c1-2-3-4-15-8-6(12(13)14)7(9)10-5-11-8/h2,5H,1,3-4H2,(H2,9,10,11).
What are the key properties of 6-but-3-enoxy-5-nitropyrimidin-4-amine?
6-but-3-enoxy-5-nitropyrimidin-4-amine has a molecular weight of 210.19 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80861263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).