6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine

C11H9N5O5 — CID 80879584

IUPAC6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccc(Oc2ncnc(N)c2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O5/c1-6-2-3-8(7(4-6)15(17)18)21-11-9(16(19)20)10(12)13-5-14-11/h2-5H,1H3,(H2,12,13,14)
InChIKeyFTGIGFIPEAZXEM-UHFFFAOYSA-N
MW291.22 g/mol
LogP1.98
Rot. Bonds4

About 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine

6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine (PubChem CID 80879584) has the molecular formula C11H9N5O5 and a molecular weight of 291.22 g/mol. Its IUPAC name is 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
PubChem CID80879584
Molecular FormulaC11H9N5O5
Molecular Weight291.22 g/mol
Exact Mass291.06
IUPAC Name6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccc(Oc2ncnc(N)c2[N+](=O)[O-])c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O5/c1-6-2-3-8(7(4-6)15(17)18)21-11-9(16(19)20)10(12)13-5-14-11/h2-5H,1H3,(H2,12,13,14)
InChIKeyFTGIGFIPEAZXEM-UHFFFAOYSA-N
XLogP1.98
TPSA147.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 51.98
H-Bond Donors ≤ 51
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

4-methyl-1-(4-methyl-2-nitrophenoxy)-2-nitrobenzene
CID 19897914
N,5-dimethyl-6-(4-methyl-2-nitrophenoxy)pyrimidin-4-amine
CID 80870457
6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyrimidin-4-amine
CID 80883095
2-(4-methyl-2-nitrophenoxy)pyridin-3-amine
CID 114051805
6-(4-chloro-2,6-dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 80862723
6-(5-bromo-2-chlorophenoxy)-5-nitropyrimidin-4-amine
CID 80878552
5-methyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80875420
3-(4-methyl-2-nitrophenoxy)aniline
CID 54908905
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
3-(4-methyl-2-nitrophenoxy)pyrazine-2-carboxylic acid
CID 62702106
6-(5-chloro-2-nitrophenoxy)-5-methylpyrimidin-4-amine
CID 80873761
5-methoxy-6-(4-methoxy-3-nitrophenoxy)pyrimidin-4-amine
CID 103202406

Frequently Asked Questions

What is the IUPAC name of 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine (CID 80879584) is 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine is Cc1ccc(Oc2ncnc(N)c2[N+](=O)[O-])c([N+](=O)[O-])c1.
What is the InChIKey of 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is FTGIGFIPEAZXEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O5/c1-6-2-3-8(7(4-6)15(17)18)21-11-9(16(19)20)10(12)13-5-14-11/h2-5H,1H3,(H2,12,13,14).
What are the key properties of 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine?
6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 291.22 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methyl-2-nitrophenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80879584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).