6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine

C11H18N4O3 — CID 82454822

IUPAC6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCCOc1nc(C)nc(NCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-5-18-11-9(15(16)17)10(12-6-7(2)3)13-8(4)14-11/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyKWYORNBYVSLINV-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.16
Rot. Bonds6

About 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine

6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine (PubChem CID 82454822) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
PubChem CID82454822
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
SMILESCCOc1nc(C)nc(NCC(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-5-18-11-9(15(16)17)10(12-6-7(2)3)13-8(4)14-11/h7H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyKWYORNBYVSLINV-UHFFFAOYSA-N
XLogP2.16
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.16
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-N-(2-methylpropyl)-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

6-methoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82454687
6-ethoxy-2-methyl-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 82454800
2-methyl-N-(3-methylbutyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454994
6-methoxy-2-methyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82454684
N-butan-2-yl-6-ethoxy-5-nitro-2-propan-2-ylpyrimidin-4-amine
CID 82454873
N-(6-methoxy-2-methyl-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82454682
6-ethoxy-N-hexyl-5-nitro-2-propylpyrimidin-4-amine
CID 82454885
2-(2-methylpropyl)-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82458177
6-hydrazinyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 80932931
N-ethyl-6-methoxy-2-(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 82458138
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
N-(2-cyclopropyl-6-ethoxy-5-nitropyrimidin-4-yl)-N',N'-dimethylethane-1,2-diamine
CID 82458878

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine (CID 82454822) is 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine is CCOc1nc(C)nc(NCC(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
The InChIKey is KWYORNBYVSLINV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-5-18-11-9(15(16)17)10(12-6-7(2)3)13-8(4)14-11/h7H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine?
6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-2-methyl-N-(2-methylpropyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82454822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).