[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine

C14H24N4O — CID 107160328

IUPAC[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
SMILESCCOc1cc(N2CCC(C)(CN)CC2)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-4-19-13-9-12(16-11(2)17-13)18-7-5-14(3,10-15)6-8-18/h9H,4-8,10,15H2,1-3H3
InChIKeyMZVSUPSSFNMZPI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.75
Rot. Bonds4

About [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine

[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine (PubChem CID 107160328) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
PubChem CID107160328
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine
SMILESCCOc1cc(N2CCC(C)(CN)CC2)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-4-19-13-9-12(16-11(2)17-13)18-7-5-14(3,10-15)6-8-18/h9H,4-8,10,15H2,1-3H3
InChIKeyMZVSUPSSFNMZPI-UHFFFAOYSA-N
XLogP1.75
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine?
The IUPAC name of [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine (CID 107160328) is [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine is CCOc1cc(N2CCC(C)(CN)CC2)nc(C)n1.
What is the InChIKey of [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine?
The InChIKey is MZVSUPSSFNMZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-4-19-13-9-12(16-11(2)17-13)18-7-5-14(3,10-15)6-8-18/h9H,4-8,10,15H2,1-3H3.
What are the key properties of [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine?
[1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-ethoxy-2-methylpyrimidin-4-yl)-4-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 107160328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).