5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine

C12H21N3O2 — CID 80859758

IUPAC5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOC)c1CC
InChIInChI=1S/C12H21N3O2/c1-4-6-13-11-10(5-2)12(15-9-14-11)17-8-7-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyLIUCNEFNWSZPFU-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.89
Rot. Bonds8

About 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine

5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine (PubChem CID 80859758) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
PubChem CID80859758
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(OCCOC)c1CC
InChIInChI=1S/C12H21N3O2/c1-4-6-13-11-10(5-2)12(15-9-14-11)17-8-7-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyLIUCNEFNWSZPFU-UHFFFAOYSA-N
XLogP1.89
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(3-methoxypropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 103176402
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
5-ethyl-4-N,4-N-bis(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80778803
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-(3-methoxy-3-methylbutoxy)-N,5-dipropylpyrimidin-4-amine
CID 106669014
6-butoxy-5-ethyl-N-methylpyrimidin-4-amine
CID 80866739
5-ethyl-N-methyl-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidin-4-amine
CID 112590958
5-ethyl-6-[(6-methylcyclohex-3-en-1-yl)methoxy]-N-propylpyrimidin-4-amine
CID 80843048
6-cycloheptyloxy-5-ethyl-N-propylpyrimidin-4-amine
CID 80871776

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine (CID 80859758) is 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine is CCCNc1ncnc(OCCOC)c1CC.
What is the InChIKey of 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine?
The InChIKey is LIUCNEFNWSZPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-6-13-11-10(5-2)12(15-9-14-11)17-8-7-16-3/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine?
5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-(2-methoxyethoxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80859758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).