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

C14H24N4 — CID 62593889

IUPACN-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(CC)ncn2)CC1
InChIInChI=1S/C14H24N4/c1-3-13-9-14(17-11-16-13)18-7-5-12(6-8-18)10-15-4-2/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyRZVGVRAGLCCTDZ-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.86
Rot. Bonds5

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

N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 62593889) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID62593889
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2cc(CC)ncn2)CC1
InChIInChI=1S/C14H24N4/c1-3-13-9-14(17-11-16-13)18-7-5-12(6-8-18)10-15-4-2/h9,11-12,15H,3-8,10H2,1-2H3
InChIKeyRZVGVRAGLCCTDZ-UHFFFAOYSA-N
XLogP1.86
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591241
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
N-[[1-(6-methylsulfanylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 106973293
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
1-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1,3,3-trimethylurea
CID 166603398
2-[4-(ethylaminomethyl)piperidin-1-yl]pyridine-4-carbonitrile
CID 80551978
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 166605798
1-(6-ethylpyrimidin-4-yl)azetidin-3-amine
CID 63759800
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
4-(4-bromo-3-methylpiperidin-1-yl)-6-ethylpyrimidine
CID 114682855
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
2-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 62689410

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine (CID 62593889) is N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2cc(CC)ncn2)CC1.
What is the InChIKey of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is RZVGVRAGLCCTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-13-9-14(17-11-16-13)18-7-5-12(6-8-18)10-15-4-2/h9,11-12,15H,3-8,10H2,1-2H3.
What are the key properties of N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 248.37 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 62593889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).