6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine

C12H12N4O3 — CID 5150911

IUPAC6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2ncnc(N)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-7-3-4-8(2)9(5-7)19-12-10(16(17)18)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyOYHBPHWBJAFIJX-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.38
Rot. Bonds3

About 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine

6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine (PubChem CID 5150911) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine
PubChem CID5150911
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccc(C)c(Oc2ncnc(N)c2[N+](=O)[O-])c1
InChIInChI=1S/C12H12N4O3/c1-7-3-4-8(2)9(5-7)19-12-10(16(17)18)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15)
InChIKeyOYHBPHWBJAFIJX-UHFFFAOYSA-N
XLogP2.38
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-
CID 10244340
2,4-Diamino-6-benzyloxy-5-nitrosopyrimidine
CID 181029
6-Benzyloxy-5-nitro-pyrimidine-2,4-diamine
CID 9860003
1-{2-[(6-Amino-5-nitropyrimidin-4-yl)oxy]phenyl}ethanone
CID 2959578
6-(3,4-Dimethylphenoxy)-5-nitropyrimidin-4-amine
CID 2959331
6-(4-Ethylphenoxy)-5-nitropyrimidin-4-amine
CID 2960274
6-(4-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 3454625
5-Nitro-6-[3-(trifluoromethyl)phenoxy]pyrimidin-4-amine
CID 3624346
2-Amino-4-benzyloxy-5-nitropyrimidine
CID 10263922
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
6-(4-Fluoro-benzyloxy)-5-nitro-pyrimidine-2,4-diamine
CID 10731331
6-(2-Methylphenoxy)-5-nitropyrimidin-4-amine
CID 4131957

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine (CID 5150911) is 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine is Cc1ccc(C)c(Oc2ncnc(N)c2[N+](=O)[O-])c1.
What is the InChIKey of 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is OYHBPHWBJAFIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-7-3-4-8(2)9(5-7)19-12-10(16(17)18)11(13)14-6-15-12/h3-6H,1-2H3,(H2,13,14,15).
What are the key properties of 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine?
6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 260.25 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylphenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 5150911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).