2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine

C10H16N4O4 — CID 82455103

IUPAC2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
SMILESCCc1nc(NC)c([N+](=O)[O-])c(OCCOC)n1
InChIInChI=1S/C10H16N4O4/c1-4-7-12-9(11-2)8(14(15)16)10(13-7)18-6-5-17-3/h4-6H2,1-3H3,(H,11,12,13)
InChIKeyCYICCRFDXBDLHJ-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.01
Rot. Bonds7

About 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine

2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 82455103) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
PubChem CID82455103
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
SMILESCCc1nc(NC)c([N+](=O)[O-])c(OCCOC)n1
InChIInChI=1S/C10H16N4O4/c1-4-7-12-9(11-2)8(14(15)16)10(13-7)18-6-5-17-3/h4-6H2,1-3H3,(H,11,12,13)
InChIKeyCYICCRFDXBDLHJ-UHFFFAOYSA-N
XLogP1.01
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80988826
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
N-butyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454935
6-butoxy-N-butyl-2-ethyl-5-nitropyrimidin-4-amine
CID 82455056
6-butoxy-2-ethyl-5-nitro-N-pentylpyrimidin-4-amine
CID 82455060
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
N-cyclohexyl-2-ethyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82454945
2-(methoxymethyl)-5-nitro-N-propan-2-yl-6-propoxypyrimidin-4-amine
CID 82457049
N-cyclopentyl-2-ethyl-6-methoxy-5-nitropyrimidin-4-amine
CID 82454720
2-cyclohexyl-N-methyl-5-nitro-6-propoxypyrimidin-4-amine
CID 82458454
6-but-3-ynoxy-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 106795584
6-methoxy-N-(2-methoxyethyl)-2-(methoxymethyl)-5-nitropyrimidin-4-amine
CID 82457018

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine (CID 82455103) is 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine is CCc1nc(NC)c([N+](=O)[O-])c(OCCOC)n1.
What is the InChIKey of 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is CYICCRFDXBDLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-4-7-12-9(11-2)8(14(15)16)10(13-7)18-6-5-17-3/h4-6H2,1-3H3,(H,11,12,13).
What are the key properties of 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 256.26 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 82455103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).