N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

C13H23N3O — CID 63891754

IUPACN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C13H23N3O/c1-13(2,3)7-12-15-9-11(10-16-12)8-14-5-6-17-4/h9-10,14H,5-8H2,1-4H3
InChIKeyUZFJUABHGSMOFE-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.80
Rot. Bonds6

About N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine

N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine (PubChem CID 63891754) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
PubChem CID63891754
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(CC(C)(C)C)nc1
InChIInChI=1S/C13H23N3O/c1-13(2,3)7-12-15-9-11(10-16-12)8-14-5-6-17-4/h9-10,14H,5-8H2,1-4H3
InChIKeyUZFJUABHGSMOFE-UHFFFAOYSA-N
XLogP1.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]ethanamine
CID 63891334
2-methoxy-N-[[2-(methylsulfonylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755886
2-methoxy-N-[[2-(2-phenylethyl)pyrimidin-5-yl]methyl]ethanamine
CID 62755354
N-[(2-ethylsulfanylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 102536065
2-methoxy-N-[[2-(phenylsulfanylmethyl)pyrimidin-5-yl]methyl]ethanamine
CID 65143216
2-methoxy-N-[(2-phenylpyrimidin-5-yl)methyl]ethanamine
CID 60955129
N-[[2-[(3-fluorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62757699
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
CID 64985792
4-[(2-methoxyethylamino)methyl]aniline
CID 22569430
N-[[2-[(2,4-dichlorophenyl)methyl]pyrimidin-5-yl]methyl]-2-methoxyethanamine
CID 62756617
2-methoxy-N-[[2-(3-methylbutan-2-ylsulfanyl)pyrimidin-5-yl]methyl]ethanamine
CID 107761526
N-[[1-(2,2-dimethylpropyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 95930021

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine (CID 63891754) is N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine is COCCNCc1cnc(CC(C)(C)C)nc1.
What is the InChIKey of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
The InChIKey is UZFJUABHGSMOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-13(2,3)7-12-15-9-11(10-16-12)8-14-5-6-17-4/h9-10,14H,5-8H2,1-4H3.
What are the key properties of N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine?
N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,2-dimethylpropyl)pyrimidin-5-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 63891754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).