4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine

C12H14N6O3 — CID 80925193

IUPAC4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(NN)nc(N)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N6O3/c1-2-7-3-4-9(8(5-7)18(19)20)21-11-6-10(17-14)15-12(13)16-11/h3-6H,2,14H2,1H3,(H3,13,15,16,17)
InChIKeyCZBHFWDRDCGUJA-UHFFFAOYSA-N
MW290.28 g/mol
LogP1.61
Rot. Bonds5

About 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine

4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine (PubChem CID 80925193) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
PubChem CID80925193
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
SMILESCCc1ccc(Oc2cc(NN)nc(N)n2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H14N6O3/c1-2-7-3-4-9(8(5-7)18(19)20)21-11-6-10(17-14)15-12(13)16-11/h3-6H,2,14H2,1H3,(H3,13,15,16,17)
InChIKeyCZBHFWDRDCGUJA-UHFFFAOYSA-N
XLogP1.61
TPSA142.22 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

4-(4-chloro-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80912253
4-chloro-6-(4-ethyl-2-nitrophenoxy)-1,3,5-triazin-2-amine
CID 80876755
4-chloro-2-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrimidine
CID 80938633
N-ethyl-6-(4-ethyl-2-nitrophenoxy)pyrazin-2-amine
CID 80871590
[6-(5-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-yl]hydrazine
CID 80938296
3,5-dichloro-6-(4-ethyl-2-nitrophenoxy)pyridin-2-amine
CID 102760998
[6-(4-methoxy-2-nitrophenoxy)-2-methylpyrimidin-4-yl]hydrazine
CID 80911771
6-(4-chloro-2-nitrophenoxy)-2-ethylpyrimidin-4-amine
CID 80941048
4-(2-bromo-6-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine
CID 81499351
6-(2-nitrophenoxy)pyrimidine-2,4-diamine
CID 80875321
4-(2-chloro-4-methylphenoxy)-6-hydrazinylpyrimidin-2-amine
CID 80930868
4-(4-ethyl-2-nitrophenoxy)-N,5-dimethylpyrimidin-2-amine
CID 80871267

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The IUPAC name of 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine (CID 80925193) is 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The canonical SMILES for 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine is CCc1ccc(Oc2cc(NN)nc(N)n2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
The InChIKey is CZBHFWDRDCGUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-2-7-3-4-9(8(5-7)18(19)20)21-11-6-10(17-14)15-12(13)16-11/h3-6H,2,14H2,1H3,(H3,13,15,16,17).
What are the key properties of 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine?
4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine has a molecular weight of 290.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-2-nitrophenoxy)-6-hydrazinylpyrimidin-2-amine is sourced from PubChem (CID 80925193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).