5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine

C16H28N4O2 — CID 77096201

IUPAC5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCOCCOC1CCN(Cc2cnc(NC(C)C)nc2)CC1
InChIInChI=1S/C16H28N4O2/c1-13(2)19-16-17-10-14(11-18-16)12-20-6-4-15(5-7-20)22-9-8-21-3/h10-11,13,15H,4-9,12H2,1-3H3,(H,17,18,19)
InChIKeyRFBAORUWQAUFFF-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.92
Rot. Bonds8

About 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine

5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine (PubChem CID 77096201) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
PubChem CID77096201
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine
SMILESCOCCOC1CCN(Cc2cnc(NC(C)C)nc2)CC1
InChIInChI=1S/C16H28N4O2/c1-13(2)19-16-17-10-14(11-18-16)12-20-6-4-15(5-7-20)22-9-8-21-3/h10-11,13,15H,4-9,12H2,1-3H3,(H,17,18,19)
InChIKeyRFBAORUWQAUFFF-UHFFFAOYSA-N
XLogP1.92
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.92
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 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine (CID 77096201) is 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine is COCCOC1CCN(Cc2cnc(NC(C)C)nc2)CC1.
What is the InChIKey of 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine?
The InChIKey is RFBAORUWQAUFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-13(2)19-16-17-10-14(11-18-16)12-20-6-4-15(5-7-20)22-9-8-21-3/h10-11,13,15H,4-9,12H2,1-3H3,(H,17,18,19).
What are the key properties of 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine?
5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine has a molecular weight of 308.43 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(2-methoxyethoxy)piperidin-1-yl]methyl]-N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 77096201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).