6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine

C13H23N3O2 — CID 102928875

IUPAC6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(CCOCCOC)nc(NC)c1C
InChIInChI=1S/C13H23N3O2/c1-5-11-10(2)13(14-3)16-12(15-11)6-7-18-9-8-17-4/h5-9H2,1-4H3,(H,14,15,16)
InChIKeyZGYBSXGCQQWJIG-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.59
Rot. Bonds8

About 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine

6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine (PubChem CID 102928875) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine
PubChem CID102928875
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(CCOCCOC)nc(NC)c1C
InChIInChI=1S/C13H23N3O2/c1-5-11-10(2)13(14-3)16-12(15-11)6-7-18-9-8-17-4/h5-9H2,1-4H3,(H,14,15,16)
InChIKeyZGYBSXGCQQWJIG-UHFFFAOYSA-N
XLogP1.59
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.59
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine (CID 102928875) is 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine is CCc1nc(CCOCCOC)nc(NC)c1C.
What is the InChIKey of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ZGYBSXGCQQWJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-11-10(2)13(14-3)16-12(15-11)6-7-18-9-8-17-4/h5-9H2,1-4H3,(H,14,15,16).
What are the key properties of 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine?
6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine has a molecular weight of 253.35 g/mol, XLogP of 1.59, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[2-(2-methoxyethoxy)ethyl]-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 102928875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).