2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine

C14H24N4O2 — CID 66320112

IUPAC2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(c2cc(OC)ncn2)C1
InChIInChI=1S/C14H24N4O2/c1-19-7-5-15-9-12-4-3-6-18(10-12)13-8-14(20-2)17-11-16-13/h8,11-12,15H,3-7,9-10H2,1-2H3
InChIKeyBQPQHYONQHFPHB-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.94
Rot. Bonds7

About 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine

2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine (PubChem CID 66320112) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
PubChem CID66320112
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
SMILESCOCCNCC1CCCN(c2cc(OC)ncn2)C1
InChIInChI=1S/C14H24N4O2/c1-19-7-5-15-9-12-4-3-6-18(10-12)13-8-14(20-2)17-11-16-13/h8,11-12,15H,3-7,9-10H2,1-2H3
InChIKeyBQPQHYONQHFPHB-UHFFFAOYSA-N
XLogP0.94
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 ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine with MolForge

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Related Compounds

2-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methylamino]acetic acid
CID 106814254
4-[3-[(2-methoxyethylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137008019
N-[[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 66331580
N-[[1-(5-bromo-4-methoxypyrimidin-2-yl)piperidin-3-yl]methyl]-2-methoxyethanamine
CID 106999659
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112856719
2-[1-(6-propoxypyrimidin-4-yl)piperidin-3-yl]acetic acid
CID 66331557
2-methoxy-N-[[1-[(6-methoxy-2-pyridinyl)methyl]piperidin-3-yl]methyl]ethanamine
CID 63987091
6-[3-(methoxymethyl)piperidin-1-yl]-N-methylpyrimidin-4-amine
CID 106590145
[1-(6-methoxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66320781
N-[[1-(6-propan-2-ylpyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine
CID 62592540
N-[[(3R)-1-(6-ethoxypyrimidin-4-yl)piperidin-3-yl]methyl]benzamide
CID 99614878
4-chloro-6-[(3S)-3-(methoxymethyl)piperidin-1-yl]pyrimidine
CID 129414399

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine (CID 66320112) is 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine is COCCNCC1CCCN(c2cc(OC)ncn2)C1.
What is the InChIKey of 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
The InChIKey is BQPQHYONQHFPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-19-7-5-15-9-12-4-3-6-18(10-12)13-8-14(20-2)17-11-16-13/h8,11-12,15H,3-7,9-10H2,1-2H3.
What are the key properties of 2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine?
2-methoxy-N-[[1-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine has a molecular weight of 280.37 g/mol, XLogP of 0.94, 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-(6-methoxypyrimidin-4-yl)piperidin-3-yl]methyl]ethanamine is sourced from PubChem (CID 66320112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).