2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine

C14H24N4O2 — CID 62587593

IUPAC2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1c1nccc(OC)n1
InChIInChI=1S/C14H24N4O2/c1-19-10-8-15-11-12-5-3-4-9-18(12)14-16-7-6-13(17-14)20-2/h6-7,12,15H,3-5,8-11H2,1-2H3
InChIKeyFPLAIJDLGSWQAG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.08
Rot. Bonds7

About 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine

2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine (PubChem CID 62587593) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
PubChem CID62587593
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine
SMILESCOCCNCC1CCCCN1c1nccc(OC)n1
InChIInChI=1S/C14H24N4O2/c1-19-10-8-15-11-12-5-3-4-9-18(12)14-16-7-6-13(17-14)20-2/h6-7,12,15H,3-5,8-11H2,1-2H3
InChIKeyFPLAIJDLGSWQAG-UHFFFAOYSA-N
XLogP1.08
TPSA59.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]propan-2-amine
CID 62591275
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]ethanamine
CID 62591605
2-[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]ethanamine
CID 63767242
[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methanamine
CID 62593689
4-methoxy-2-[2-(3-methylbutyl)pyrrolidin-1-yl]pyrimidine
CID 133376942
4-methoxy-2-[(2R)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 95764298
3-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]propan-1-amine
CID 55243745
4-methoxy-2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 95317595
N-[[1-(1,3-benzoxazol-2-yl)piperidin-2-yl]methyl]-2-methoxyethanamine
CID 62585619
N-[[1-(4-propan-2-yloxypyrimidin-2-yl)piperidin-2-yl]methyl]cyclopropanamine
CID 115975643
1-[1-(4-ethoxypyrimidin-2-yl)pyrrolidin-2-yl]-N-methylmethanamine
CID 112638856
N-[[1-(6-methoxy-2-pyridinyl)pyrrolidin-2-yl]methyl]propan-1-amine
CID 63586483

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine (CID 62587593) is 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine is COCCNCC1CCCCN1c1nccc(OC)n1.
What is the InChIKey of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine?
The InChIKey is FPLAIJDLGSWQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-19-10-8-15-11-12-5-3-4-9-18(12)14-16-7-6-13(17-14)20-2/h6-7,12,15H,3-5,8-11H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine?
2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 1.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-2-yl]methyl]ethanamine is sourced from PubChem (CID 62587593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).