2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine

C14H25N3O2 — CID 116731205

IUPAC2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCCC(OC)c1nc(C)cc(CNCCOC)n1
InChIInChI=1S/C14H25N3O2/c1-5-6-13(19-4)14-16-11(2)9-12(17-14)10-15-7-8-18-3/h9,13,15H,5-8,10H2,1-4H3
InChIKeyQPMBGPTYELMPKY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.01
Rot. Bonds9

About 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine

2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine (PubChem CID 116731205) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
PubChem CID116731205
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine
SMILESCCCC(OC)c1nc(C)cc(CNCCOC)n1
InChIInChI=1S/C14H25N3O2/c1-5-6-13(19-4)14-16-11(2)9-12(17-14)10-15-7-8-18-3/h9,13,15H,5-8,10H2,1-4H3
InChIKeyQPMBGPTYELMPKY-UHFFFAOYSA-N
XLogP2.01
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62745007
6-ethyl-2-(1-methoxybutyl)-N-methylpyrimidin-4-amine
CID 116728869
N-[[2-(4-fluorophenyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62746066
N-[[2-(tert-butylsulfanylmethyl)-6-methylpyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 65138090
4-(chloromethyl)-2-(1-methoxypropyl)-6-methylpyrimidine
CID 116731439
2-methoxy-N-[(6-methyl-2-pyridin-2-ylpyrimidin-4-yl)methyl]ethanamine
CID 62744312
N-(2-methoxyethyl)-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 83030494
2-methoxy-N-[[6-methyl-2-(oxan-3-yl)pyrimidin-4-yl]methyl]ethanamine
CID 65334028
2-methoxy-N-[[6-methyl-2-(3-methylcyclohexyl)pyrimidin-4-yl]methyl]ethanamine
CID 62745005
(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
CID 97035365
N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]decan-1-amine
CID 82887891
4-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-6-methylpyrimidin-2-amine
CID 114221034

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine (CID 116731205) is 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine is CCCC(OC)c1nc(C)cc(CNCCOC)n1.
What is the InChIKey of 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
The InChIKey is QPMBGPTYELMPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-5-6-13(19-4)14-16-11(2)9-12(17-14)10-15-7-8-18-3/h9,13,15H,5-8,10H2,1-4H3.
What are the key properties of 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine?
2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 2.01, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[2-(1-methoxybutyl)-6-methylpyrimidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 116731205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).