N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine

C12H21N3O2 — CID 106815497

IUPACN-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCCOCCc1nccc(CNCCOC)n1
InChIInChI=1S/C12H21N3O2/c1-3-17-8-5-12-14-6-4-11(15-12)10-13-7-9-16-2/h4,6,13H,3,5,7-10H2,1-2H3
InChIKeyORRABKLBZHIMML-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.79
Rot. Bonds9

About N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine

N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine (PubChem CID 106815497) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
PubChem CID106815497
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine
SMILESCCOCCc1nccc(CNCCOC)n1
InChIInChI=1S/C12H21N3O2/c1-3-17-8-5-12-14-6-4-11(15-12)10-13-7-9-16-2/h4,6,13H,3,5,7-10H2,1-2H3
InChIKeyORRABKLBZHIMML-UHFFFAOYSA-N
XLogP0.79
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.79
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

N-[[2-(methoxymethyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 62746833
2,4-bis(2-methoxyethyl)pyrimidine
CID 174836180
2-(2-ethoxyethyl)-N-propylpyrimidin-4-amine
CID 106815248
2-methoxy-N-[[2-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrimidin-4-yl]methyl]ethanamine
CID 62795534
2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
CID 62748475
2-methoxy-N-[[2-(oxolan-3-ylmethyl)pyrimidin-4-yl]methyl]ethanamine
CID 103987965
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 62748294
N-[[2-[(2-chloro-6-fluorophenyl)methyl]pyrimidin-4-yl]methyl]-2-methoxyethanamine
CID 63022499
N-[[2-(3,3-dimethylbutyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 114212057
N-[[2-(3,3,3-trifluoropropyl)pyrimidin-4-yl]methyl]propan-1-amine
CID 79964002
N-[[2-(propoxymethyl)pyrimidin-4-yl]methyl]ethanamine
CID 62747917
N-[(2-methylpyrimidin-4-yl)methyl]-2-propoxyethanamine
CID 106451723

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine (CID 106815497) is N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine is CCOCCc1nccc(CNCCOC)n1.
What is the InChIKey of N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
The InChIKey is ORRABKLBZHIMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-17-8-5-12-14-6-4-11(15-12)10-13-7-9-16-2/h4,6,13H,3,5,7-10H2,1-2H3.
What are the key properties of N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine?
N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine has a molecular weight of 239.32 g/mol, XLogP of 0.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxyethyl)pyrimidin-4-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106815497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).