6-(2-methylphenoxy)-5-nitropyrimidin-4-amine

C11H10N4O3 — CID 4131957

IUPAC6-(2-methylphenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccccc1Oc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3/c1-7-4-2-3-5-8(7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14)
InChIKeyDXZKKIZONUPOBH-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.07
Rot. Bonds3

About 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine

6-(2-methylphenoxy)-5-nitropyrimidin-4-amine (PubChem CID 4131957) has the molecular formula C11H10N4O3 and a molecular weight of 246.23 g/mol. Its IUPAC name is 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methylphenoxy)-5-nitropyrimidin-4-amine
PubChem CID4131957
Molecular FormulaC11H10N4O3
Molecular Weight246.23 g/mol
Exact Mass246.08
IUPAC Name6-(2-methylphenoxy)-5-nitropyrimidin-4-amine
SMILESCc1ccccc1Oc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H10N4O3/c1-7-4-2-3-5-8(7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14)
InChIKeyDXZKKIZONUPOBH-UHFFFAOYSA-N
XLogP2.07
TPSA104.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.07
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'}

Analyze 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
N-benzylpyrimido[4,5-b][1,4]benzoxazepin-4-amine
CID 659753
2-Amino-4-benzyloxy-5-nitropyrimidine
CID 10263922
5-Nitroso-6-(4-fluorobenzyloxy)pyrimidine-2,4-diamine
CID 10264728
6-(4-Methoxyphenyl)-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-4-amine
CID 58909815

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine (CID 4131957) is 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine is Cc1ccccc1Oc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine?
The InChIKey is DXZKKIZONUPOBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O3/c1-7-4-2-3-5-8(7)18-11-9(15(16)17)10(12)13-6-14-11/h2-6H,1H3,(H2,12,13,14).
What are the key properties of 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine?
6-(2-methylphenoxy)-5-nitropyrimidin-4-amine has a molecular weight of 246.23 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylphenoxy)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 4131957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).