5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine

C13H23N3O4 — CID 104568305

IUPAC5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOCCOC)c1OC
InChIInChI=1S/C13H23N3O4/c1-4-5-14-12-11(18-3)13(16-10-15-12)20-9-8-19-7-6-17-2/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyFSUFVLFAGYRZJT-UHFFFAOYSA-N
MW285.34 g/mol
LogP1.35
Rot. Bonds11

About 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine

5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine (PubChem CID 104568305) has the molecular formula C13H23N3O4 and a molecular weight of 285.34 g/mol. Its IUPAC name is 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
PubChem CID104568305
Molecular FormulaC13H23N3O4
Molecular Weight285.34 g/mol
Exact Mass285.17
IUPAC Name5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOCCOC)c1OC
InChIInChI=1S/C13H23N3O4/c1-4-5-14-12-11(18-3)13(16-10-15-12)20-9-8-19-7-6-17-2/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyFSUFVLFAGYRZJT-UHFFFAOYSA-N
XLogP1.35
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402
6-(2-cyclopropylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 114158214
6-(2-cyclobutylethoxy)-5-methoxy-N-propylpyrimidin-4-amine
CID 106207740
6-[(4-bromophenyl)methoxy]-5-methoxy-N-propylpyrimidin-4-amine
CID 82807303
4-chloro-5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]pyrimidine
CID 104561380
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
2-[2-[[5-methoxy-6-(propylamino)pyrimidin-4-yl]amino]ethoxy]acetamide
CID 106241876
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 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine (CID 104568305) is 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCCOCCOC)c1OC.
What is the InChIKey of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine?
The InChIKey is FSUFVLFAGYRZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4/c1-4-5-14-12-11(18-3)13(16-10-15-12)20-9-8-19-7-6-17-2/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine?
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine has a molecular weight of 285.34 g/mol, XLogP of 1.35, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 104568305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).