5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine

C15H27N3O3 — CID 103176402

IUPAC5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOCCCOC)c1CC
InChIInChI=1S/C15H27N3O3/c1-4-7-16-14-13(5-2)15(18-12-17-14)21-11-10-20-9-6-8-19-3/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyXXUWAJCDPJOYDX-UHFFFAOYSA-N
MW297.40 g/mol
LogP2.29
Rot. Bonds12

About 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine

5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine (PubChem CID 103176402) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
PubChem CID103176402
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Name5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOCCCOC)c1CC
InChIInChI=1S/C15H27N3O3/c1-4-7-16-14-13(5-2)15(18-12-17-14)21-11-10-20-9-6-8-19-3/h12H,4-11H2,1-3H3,(H,16,17,18)
InChIKeyXXUWAJCDPJOYDX-UHFFFAOYSA-N
XLogP2.29
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyrimidin-4-amine
CID 103408222
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
CID 80859758
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
5-ethyl-N-propyl-6-(4,4,4-trifluorobutoxy)pyrimidin-4-amine
CID 82794819
6-[2-(3-methoxypropoxy)ethoxy]-5-propylpyrimidin-4-amine
CID 103176433
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
3,5-dichloro-6-[3-(2-methoxyethoxy)propoxy]-N-propylpyridin-2-amine
CID 103408318
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
4-chloro-5-ethyl-6-(3-methoxypropoxy)pyrimidine
CID 63735543

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine (CID 103176402) is 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCCOCCCOC)c1CC.
What is the InChIKey of 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine?
The InChIKey is XXUWAJCDPJOYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-4-7-16-14-13(5-2)15(18-12-17-14)21-11-10-20-9-6-8-19-3/h12H,4-11H2,1-3H3,(H,16,17,18).
What are the key properties of 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine?
5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine has a molecular weight of 297.40 g/mol, XLogP of 2.29, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-[2-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103176402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).