6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine

C11H18N4O — CID 66319465

IUPAC6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCOc1cc(NC2CCCNC2)ncn1
InChIInChI=1S/C11H18N4O/c1-2-16-11-6-10(13-8-14-11)15-9-4-3-5-12-7-9/h6,8-9,12H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyOYBQHNWZNZNXBG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds4

About 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine

6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine (PubChem CID 66319465) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
PubChem CID66319465
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine
SMILESCCOc1cc(NC2CCCNC2)ncn1
InChIInChI=1S/C11H18N4O/c1-2-16-11-6-10(13-8-14-11)15-9-4-3-5-12-7-9/h6,8-9,12H,2-5,7H2,1H3,(H,13,14,15)
InChIKeyOYBQHNWZNZNXBG-UHFFFAOYSA-N
XLogP1.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine (CID 66319465) is 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine is CCOc1cc(NC2CCCNC2)ncn1.
What is the InChIKey of 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine?
The InChIKey is OYBQHNWZNZNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-16-11-6-10(13-8-14-11)15-9-4-3-5-12-7-9/h6,8-9,12H,2-5,7H2,1H3,(H,13,14,15).
What are the key properties of 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine?
6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine has a molecular weight of 222.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N-piperidin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66319465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).