6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine

C13H22N4O2 — CID 72900154

IUPAC6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine
SMILESCOCCOC1CCN(c2cc(N)nc(C)n2)CC1
InChIInChI=1S/C13H22N4O2/c1-10-15-12(14)9-13(16-10)17-5-3-11(4-6-17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyRVULUJBIAVNQIU-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.00
Rot. Bonds5

About 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine

6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine (PubChem CID 72900154) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine
PubChem CID72900154
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine
SMILESCOCCOC1CCN(c2cc(N)nc(C)n2)CC1
InChIInChI=1S/C13H22N4O2/c1-10-15-12(14)9-13(16-10)17-5-3-11(4-6-17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H2,14,15,16)
InChIKeyRVULUJBIAVNQIU-UHFFFAOYSA-N
XLogP1.00
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.00
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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine (CID 72900154) is 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine is COCCOC1CCN(c2cc(N)nc(C)n2)CC1.
What is the InChIKey of 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine?
The InChIKey is RVULUJBIAVNQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-10-15-12(14)9-13(16-10)17-5-3-11(4-6-17)19-8-7-18-2/h9,11H,3-8H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine?
6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine has a molecular weight of 266.34 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethoxy)piperidin-1-yl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 72900154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).