6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine

C10H16N4O3 — CID 82454800

IUPAC6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCCOc1nc(C)nc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-5-17-10-8(14(15)16)9(11-6(2)3)12-7(4)13-10/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyUPDKZIVNTVUEOO-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.91
Rot. Bonds5

About 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine

6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine (PubChem CID 82454800) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
PubChem CID82454800
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
SMILESCCOc1nc(C)nc(NC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-5-17-10-8(14(15)16)9(11-6(2)3)12-7(4)13-10/h6H,5H2,1-4H3,(H,11,12,13)
InChIKeyUPDKZIVNTVUEOO-UHFFFAOYSA-N
XLogP1.91
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.91
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-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-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

6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454822
N-butan-2-yl-6-ethoxy-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82454873
6-(2-methylpropoxy)-2-(2-methylpropyl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82458183
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454687
2-butyl-6-ethoxy-5-nitro-N-pentan-3-ylpyrimidin-4-amine
CID 21445078
6-(2-methylpropoxy)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454610
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
N-cyclohexyl-6-methoxy-2-methyl-5-nitropyrimidin-4-amine
CID 82454688
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
2-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454928

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine (CID 82454800) is 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine is CCOc1nc(C)nc(NC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine?
The InChIKey is UPDKZIVNTVUEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-5-17-10-8(14(15)16)9(11-6(2)3)12-7(4)13-10/h6H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine?
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 240.26 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 82454800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).