6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine

C11H18N4O6 — CID 104568154

IUPAC6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
SMILESCOCCOCCOCCOc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O6/c1-18-2-3-19-4-5-20-6-7-21-11-9(15(16)17)10(12)13-8-14-11/h8H,2-7H2,1H3,(H2,12,13,14)
InChIKeyPDBIJIKUVOBKCM-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.03
Rot. Bonds11

About 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine

6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine (PubChem CID 104568154) has the molecular formula C11H18N4O6 and a molecular weight of 302.29 g/mol. Its IUPAC name is 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
PubChem CID104568154
Molecular FormulaC11H18N4O6
Molecular Weight302.29 g/mol
Exact Mass302.12
IUPAC Name6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
SMILESCOCCOCCOCCOc1ncnc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O6/c1-18-2-3-19-4-5-20-6-7-21-11-9(15(16)17)10(12)13-8-14-11/h8H,2-7H2,1H3,(H2,12,13,14)
InChIKeyPDBIJIKUVOBKCM-UHFFFAOYSA-N
XLogP0.03
TPSA131.86 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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-but-3-enoxy-5-nitropyrimidin-4-amine
CID 80861263
6-(2-methoxyethoxy)-N-methyl-5-nitropyrimidin-4-amine
CID 80860362
N-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-nitropyrimidin-4-amine
CID 103408213
5-nitro-6-prop-2-enoxypyrimidin-4-amine
CID 80868030
4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
CID 104559912
6-(2-methoxyethoxy)-5-nitro-N-pentylpyrimidin-4-amine
CID 82455140
6-(2-methoxyethoxy)-N-(3-methylbutyl)-5-nitropyrimidin-4-amine
CID 82455146
2-chloro-4-[2-(2-methoxyethoxy)ethoxy]-6-methyl-5-nitropyrimidine
CID 114044293
6-[3-(methoxymethyl)phenoxy]-5-nitropyrimidin-4-amine
CID 80876502
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80858662
1-[4-(6-amino-5-nitropyrimidin-4-yl)oxyphenyl]ethanone
CID 3611764
4-N-[2-(2-methoxyethoxy)ethyl]-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 80793151

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine?
The IUPAC name of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine (CID 104568154) is 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine is COCCOCCOCCOc1ncnc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine?
The InChIKey is PDBIJIKUVOBKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O6/c1-18-2-3-19-4-5-20-6-7-21-11-9(15(16)17)10(12)13-8-14-11/h8H,2-7H2,1H3,(H2,12,13,14).
What are the key properties of 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine?
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine has a molecular weight of 302.29 g/mol, XLogP of 0.03, 11 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine is sourced from PubChem (CID 104568154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).