N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine

C14H24N4O — CID 66318799

IUPACN-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1c1cc(OCC)ncn1
InChIInChI=1S/C14H24N4O/c1-3-15-10-12-7-5-6-8-18(12)13-9-14(19-4-2)17-11-16-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyDAFQGAFXXKXECF-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.84
Rot. Bonds6

About N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine

N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine (PubChem CID 66318799) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
PubChem CID66318799
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC NameN-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
SMILESCCNCC1CCCCN1c1cc(OCC)ncn1
InChIInChI=1S/C14H24N4O/c1-3-15-10-12-7-5-6-8-18(12)13-9-14(19-4-2)17-11-16-13/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyDAFQGAFXXKXECF-UHFFFAOYSA-N
XLogP1.84
TPSA50.28 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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-(6-ethoxy-2-methylpyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine
CID 66332722
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]methyl]propan-1-amine
CID 66331992
4-[2-(2-bromoethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 80663054
4-[2-(2-chloroethyl)piperidin-1-yl]-6-ethoxypyrimidine
CID 66331141
2-methyl-N-[[1-(6-propoxypyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 66331786
3-[1-(6-ethoxypyrimidin-4-yl)pyrrolidin-2-yl]propan-1-amine
CID 66332370
4-ethoxy-6-(2-methylpyrrolidin-1-yl)pyrimidine
CID 133484854
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 66331814
N-[[1-(6-methylpyrimidin-4-yl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 62592327
methyl 2-[1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]acetate
CID 66318081
N-methyl-2-[1-(6-propoxypyrimidin-4-yl)piperidin-2-yl]ethanamine
CID 66331777
N-[[1-(5-methyl-2-pyridinyl)piperidin-2-yl]methyl]ethanamine
CID 62593584

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine (CID 66318799) is N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine is CCNCC1CCCCN1c1cc(OCC)ncn1.
What is the InChIKey of N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is DAFQGAFXXKXECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-15-10-12-7-5-6-8-18(12)13-9-14(19-4-2)17-11-16-13/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine?
N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 264.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethoxypyrimidin-4-yl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 66318799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).