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

C13H23N3O3 — CID 104568314

IUPACN,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
SMILESCCNc1ncnc(OCCOCCOC)c1CC
InChIInChI=1S/C13H23N3O3/c1-4-11-12(14-5-2)15-10-16-13(11)19-9-8-18-7-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyHWWGWGFNLJTRDR-UHFFFAOYSA-N
MW269.34 g/mol
LogP1.51
Rot. Bonds10

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

N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine (PubChem CID 104568314) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
PubChem CID104568314
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC NameN,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
SMILESCCNc1ncnc(OCCOCCOC)c1CC
InChIInChI=1S/C13H23N3O3/c1-4-11-12(14-5-2)15-10-16-13(11)19-9-8-18-7-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16)
InChIKeyHWWGWGFNLJTRDR-UHFFFAOYSA-N
XLogP1.51
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 51.51
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

N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
CID 104568195
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
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 104568305
N-ethyl-6-[3-(2-methoxyethoxy)propoxy]-5-nitropyrimidin-4-amine
CID 103408213
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
6-[(E)-but-2-enoxy]-N,5-diethylpyrimidin-4-amine
CID 80872166
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine (CID 104568314) is N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine is CCNc1ncnc(OCCOCCOC)c1CC.
What is the InChIKey of N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
The InChIKey is HWWGWGFNLJTRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-4-11-12(14-5-2)15-10-16-13(11)19-9-8-18-7-6-17-3/h10H,4-9H2,1-3H3,(H,14,15,16).
What are the key properties of N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine?
N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine has a molecular weight of 269.34 g/mol, XLogP of 1.51, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine is sourced from PubChem (CID 104568314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).