2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine

C14H24N4O — CID 66331369

IUPAC2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCCCOc1cc(N2CCCC(CCN)C2)ncn1
InChIInChI=1S/C14H24N4O/c1-2-8-19-14-9-13(16-11-17-14)18-7-3-4-12(10-18)5-6-15/h9,11-12H,2-8,10,15H2,1H3
InChIKeyKIZRGTWEDYBJTI-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.83
Rot. Bonds6

About 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine

2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine (PubChem CID 66331369) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
PubChem CID66331369
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine
SMILESCCCOc1cc(N2CCCC(CCN)C2)ncn1
InChIInChI=1S/C14H24N4O/c1-2-8-19-14-9-13(16-11-17-14)18-7-3-4-12(10-18)5-6-15/h9,11-12H,2-8,10,15H2,1H3
InChIKeyKIZRGTWEDYBJTI-UHFFFAOYSA-N
XLogP1.83
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-propoxypyrimidin-4-yl)piperidin-3-amine
CID 66333796
[1-(6-propoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66334205
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
2-[1-(4-methyl-6-propoxypyrimidin-2-yl)piperidin-3-yl]ethanamine
CID 115973451
4-[3-(chloromethyl)pyrrolidin-1-yl]-6-propoxypyrimidine
CID 66334023
N-methyl-1-[1-(6-propoxypyrimidin-4-yl)piperidin-4-yl]methanamine
CID 66332385
[4-methyl-1-(6-propoxypyrimidin-4-yl)piperazin-2-yl]methanamine
CID 80506286
4-[3-(2-bromoethyl)piperidin-1-yl]-6-propylpyrimidine
CID 80679760
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
6-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-cyclobutylpyrimidin-4-amine
CID 115265369
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66320112

Frequently Asked Questions

What is the IUPAC name of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine (CID 66331369) is 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine is CCCOc1cc(N2CCCC(CCN)C2)ncn1.
What is the InChIKey of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
The InChIKey is KIZRGTWEDYBJTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-2-8-19-14-9-13(16-11-17-14)18-7-3-4-12(10-18)5-6-15/h9,11-12H,2-8,10,15H2,1H3.
What are the key properties of 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine?
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 66331369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).