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

C8H12N4O4 — CID 80860362

IUPAC6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(OCCOC)c1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4/c1-9-7-6(12(13)14)8(11-5-10-7)16-4-3-15-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyOSAWJTFKHPXINU-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.45
Rot. Bonds6

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

6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine (PubChem CID 80860362) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
PubChem CID80860362
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(OCCOC)c1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O4/c1-9-7-6(12(13)14)8(11-5-10-7)16-4-3-15-2/h5H,3-4H2,1-2H3,(H,9,10,11)
InChIKeyOSAWJTFKHPXINU-UHFFFAOYSA-N
XLogP0.45
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.45
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

6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
6-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777
N-methyl-6-(3-methylbutoxy)-5-nitropyrimidin-4-amine
CID 80858601
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
N-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-nitropyrimidin-4-amine
CID 103408213
2-ethyl-6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 82455103
N-methyl-6-[(2-methylpropan-2-yl)oxy]-5-nitropyrimidin-4-amine
CID 80861886
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
CID 104568154
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80858662
N-(2-methoxyethyl)-6-(2-methylpropoxy)-5-nitropyrimidin-4-amine
CID 82454625

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine (CID 80860362) is 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine is CNc1ncnc(OCCOC)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
The InChIKey is OSAWJTFKHPXINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-9-7-6(12(13)14)8(11-5-10-7)16-4-3-15-2/h5H,3-4H2,1-2H3,(H,9,10,11).
What are the key properties of 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine?
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine has a molecular weight of 228.21 g/mol, XLogP of 0.45, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80860362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).