N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine

C12H21N3O3 — CID 104568195

IUPACN-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(OCCOCCOC)c1C
InChIInChI=1S/C12H21N3O3/c1-4-13-11-10(2)12(15-9-14-11)18-8-7-17-6-5-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyBJUSHKMYBBJYID-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.26
Rot. Bonds9

About N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine

N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine (PubChem CID 104568195) has the molecular formula C12H21N3O3 and a molecular weight of 255.32 g/mol. Its IUPAC name is N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
PubChem CID104568195
Molecular FormulaC12H21N3O3
Molecular Weight255.32 g/mol
Exact Mass255.16
IUPAC NameN-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine
SMILESCCNc1ncnc(OCCOCCOC)c1C
InChIInChI=1S/C12H21N3O3/c1-4-13-11-10(2)12(15-9-14-11)18-8-7-17-6-5-16-3/h9H,4-8H2,1-3H3,(H,13,14,15)
InChIKeyBJUSHKMYBBJYID-UHFFFAOYSA-N
XLogP1.26
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.26
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,5-diethyl-6-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 104568314
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
6-but-3-ynoxy-N-ethyl-5-methylpyrimidin-4-amine
CID 106795508
N,2-diethyl-6-[3-(2-methoxyethoxy)propoxy]-5-methylpyrimidin-4-amine
CID 103408396
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
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
CID 80872107
5-methoxy-6-[2-(2-methoxyethoxy)ethoxy]-N-methylpyrimidin-4-amine
CID 104568270
6-(2-butoxyethoxy)-N-ethyl-5-propylpyrimidin-4-amine
CID 80861396
5-methyl-6-[2-(2-methylpropoxy)ethoxy]-N-propylpyrimidin-4-amine
CID 106451474
N-ethyl-5-methyl-6-(2-pyridin-2-ylethoxy)pyrimidin-4-amine
CID 80865448
N-ethyl-6-(4-methoxyphenoxy)-5-methylpyrimidin-4-amine
CID 80870042

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine?
The IUPAC name of N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine (CID 104568195) is N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine is CCNc1ncnc(OCCOCCOC)c1C.
What is the InChIKey of N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine?
The InChIKey is BJUSHKMYBBJYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3/c1-4-13-11-10(2)12(15-9-14-11)18-8-7-17-6-5-16-3/h9H,4-8H2,1-3H3,(H,13,14,15).
What are the key properties of N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine?
N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 1.26, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[2-(2-methoxyethoxy)ethoxy]-5-methylpyrimidin-4-amine is sourced from PubChem (CID 104568195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).