1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine

C13H22N4 — CID 63256097

IUPAC1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
SMILESCCc1cc(N2CCCCC2C(C)N)ncn1
InChIInChI=1S/C13H22N4/c1-3-11-8-13(16-9-15-11)17-7-5-4-6-12(17)10(2)14/h8-10,12H,3-7,14H2,1-2H3
InChIKeyUYQGYLBOZJGHIB-UHFFFAOYSA-N
MW234.35 g/mol
LogP1.75
Rot. Bonds3

About 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine

1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine (PubChem CID 63256097) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
PubChem CID63256097
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC Name1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine
SMILESCCc1cc(N2CCCCC2C(C)N)ncn1
InChIInChI=1S/C13H22N4/c1-3-11-8-13(16-9-15-11)17-7-5-4-6-12(17)10(2)14/h8-10,12H,3-7,14H2,1-2H3
InChIKeyUYQGYLBOZJGHIB-UHFFFAOYSA-N
XLogP1.75
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine (CID 63256097) is 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine is CCc1cc(N2CCCCC2C(C)N)ncn1.
What is the InChIKey of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine?
The InChIKey is UYQGYLBOZJGHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-3-11-8-13(16-9-15-11)17-7-5-4-6-12(17)10(2)14/h8-10,12H,3-7,14H2,1-2H3.
What are the key properties of 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine?
1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine has a molecular weight of 234.35 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(6-ethylpyrimidin-4-yl)piperidin-2-yl]ethanamine is sourced from PubChem (CID 63256097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).