6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine

C10H16N4O4 — CID 80858662

IUPAC6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
SMILESCCNc1ncnc(OCCOCC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4/c1-3-11-9-8(14(15)16)10(13-7-12-9)18-6-5-17-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyIOWNYQATXFMICL-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.23
Rot. Bonds8

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

6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine (PubChem CID 80858662) has the molecular formula C10H16N4O4 and a molecular weight of 256.26 g/mol. Its IUPAC name is 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
PubChem CID80858662
Molecular FormulaC10H16N4O4
Molecular Weight256.26 g/mol
Exact Mass256.12
IUPAC Name6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
SMILESCCNc1ncnc(OCCOCC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O4/c1-3-11-9-8(14(15)16)10(13-7-12-9)18-6-5-17-4-2/h7H,3-6H2,1-2H3,(H,11,12,13)
InChIKeyIOWNYQATXFMICL-UHFFFAOYSA-N
XLogP1.23
TPSA99.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.23
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

N-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-nitropyrimidin-4-amine
CID 103408213
5-nitro-6-propoxy-N-propylpyrimidin-4-amine
CID 80866918
N-ethyl-6-(3-methylbutan-2-yloxy)-5-nitropyrimidin-4-amine
CID 80882486
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
6-(4-chlorophenoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80864774
N-ethyl-6-(4-fluorophenoxy)-5-nitropyrimidin-4-amine
CID 80869488
N-ethyl-5-nitro-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80873175
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
N-ethyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80859792
6-heptoxy-N-methyl-5-nitropyrimidin-4-amine
CID 80861777

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine (CID 80858662) is 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine is CCNc1ncnc(OCCOCC)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine?
The InChIKey is IOWNYQATXFMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O4/c1-3-11-9-8(14(15)16)10(13-7-12-9)18-6-5-17-4-2/h7H,3-6H2,1-2H3,(H,11,12,13).
What are the key properties of 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine?
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine has a molecular weight of 256.26 g/mol, XLogP of 1.23, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 80858662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).