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

C13H23N3O5 — CID 104559912

IUPAC4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
SMILESCCOc1ncnc(OCCOCCOCCOC)c1N
InChIInChI=1S/C13H23N3O5/c1-3-20-12-11(14)13(16-10-15-12)21-9-8-19-7-6-18-5-4-17-2/h10H,3-9,14H2,1-2H3
InChIKeyYKHQGOQOTBWMGZ-UHFFFAOYSA-N
MW301.34 g/mol
LogP0.52
Rot. Bonds12

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

4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine (PubChem CID 104559912) has the molecular formula C13H23N3O5 and a molecular weight of 301.34 g/mol. Its IUPAC name is 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine.

Molecular Properties

Compound Name4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
PubChem CID104559912
Molecular FormulaC13H23N3O5
Molecular Weight301.34 g/mol
Exact Mass301.16
IUPAC Name4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine
SMILESCCOc1ncnc(OCCOCCOCCOC)c1N
InChIInChI=1S/C13H23N3O5/c1-3-20-12-11(14)13(16-10-15-12)21-9-8-19-7-6-18-5-4-17-2/h10H,3-9,14H2,1-2H3
InChIKeyYKHQGOQOTBWMGZ-UHFFFAOYSA-N
XLogP0.52
TPSA97.95 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.34
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1H-pyrimidin-6-one
CID 103241963
4-[2-[di(propan-2-yl)amino]ethoxy]-6-ethoxypyrimidin-5-amine
CID 115505378
4-[2-(2-methoxyethoxy)ethoxy]quinazolin-6-amine
CID 104559985
6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-5-nitropyrimidin-4-amine
CID 104568154
6-(2-methoxyethoxy)-4-N-propan-2-ylpyrimidine-4,5-diamine
CID 82455271
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
CID 103176433
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561380
2-[(5-amino-6-ethoxypyrimidin-4-yl)-(2-methoxyethyl)amino]ethanol
CID 113467648
6-(2-ethoxyethoxy)-5-methylpyrimidin-4-amine
CID 80858667
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine?
The IUPAC name of 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine (CID 104559912) is 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine.
What is the SMILES notation for 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine?
The canonical SMILES for 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine is CCOc1ncnc(OCCOCCOCCOC)c1N.
What is the InChIKey of 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine?
The InChIKey is YKHQGOQOTBWMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O5/c1-3-20-12-11(14)13(16-10-15-12)21-9-8-19-7-6-18-5-4-17-2/h10H,3-9,14H2,1-2H3.
What are the key properties of 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine?
4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine has a molecular weight of 301.34 g/mol, XLogP of 0.52, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyrimidin-5-amine is sourced from PubChem (CID 104559912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).