N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine

C12H19N3O — CID 64985792

IUPACN-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(C2CCC2)nc1
InChIInChI=1S/C12H19N3O/c1-16-6-5-13-7-10-8-14-12(15-9-10)11-3-2-4-11/h8-9,11,13H,2-7H2,1H3
InChIKeyAPMYQFHJNNKGSD-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.48
Rot. Bonds6

About N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine

N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine (PubChem CID 64985792) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
PubChem CID64985792
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine
SMILESCOCCNCc1cnc(C2CCC2)nc1
InChIInChI=1S/C12H19N3O/c1-16-6-5-13-7-10-8-14-12(15-9-10)11-3-2-4-11/h8-9,11,13H,2-7H2,1H3
InChIKeyAPMYQFHJNNKGSD-UHFFFAOYSA-N
XLogP1.48
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.48
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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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine (CID 64985792) is N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine is COCCNCc1cnc(C2CCC2)nc1.
What is the InChIKey of N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
The InChIKey is APMYQFHJNNKGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-16-6-5-13-7-10-8-14-12(15-9-10)11-3-2-4-11/h8-9,11,13H,2-7H2,1H3.
What are the key properties of N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine?
N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutylpyrimidin-5-yl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 64985792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).