N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine

C12H19N3O — CID 83188963

IUPACN-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
SMILESC=CCCOc1ncc(CNCC)c(C)n1
InChIInChI=1S/C12H19N3O/c1-4-6-7-16-12-14-9-11(8-13-5-2)10(3)15-12/h4,9,13H,1,5-8H2,2-3H3
InChIKeyWDGWJFIVTUCNNU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.85
Rot. Bonds7

About N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine

N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 83188963) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
PubChem CID83188963
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine
SMILESC=CCCOc1ncc(CNCC)c(C)n1
InChIInChI=1S/C12H19N3O/c1-4-6-7-16-12-14-9-11(8-13-5-2)10(3)15-12/h4,9,13H,1,5-8H2,2-3H3
InChIKeyWDGWJFIVTUCNNU-UHFFFAOYSA-N
XLogP1.85
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4,5-Dimethylpyrimidin-2-yl)ethan-1-amine
CID 83479570
N-Butyl-4-methylpyrimidin-2-amine
CID 62958720
4,5-Dimethylpyrimidin-2-amine
CID 231290
2-Ethoxy-4-methylpyrimidine
CID 20616759
2-[2-[(4,5-Dimethylpyrimidin-2-yl)amino]ethoxy]ethanol
CID 75436307
2-[(4,5-Dimethylpyrimidin-2-YL)amino]-N-ethylacetamide
CID 86802910
N-ethyl-4-methyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 68165149
1-[2-(2-Fluoroethoxy)pyrimidin-5-yl]ethanamine
CID 88916420
4-Methyl-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)pyrimidine
CID 129150945
2-(2-fluoroethoxy)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 141196255
4-methyl-N-[(E)-prop-1-enyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 143993288
4,5-Dimethyl-2-(2,2,2-trifluoroethoxy)pyrimidine;ethane
CID 168208419

Frequently Asked Questions

What is the IUPAC name of N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine (CID 83188963) is N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine is C=CCCOc1ncc(CNCC)c(C)n1.
What is the InChIKey of N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is WDGWJFIVTUCNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-6-7-16-12-14-9-11(8-13-5-2)10(3)15-12/h4,9,13H,1,5-8H2,2-3H3.
What are the key properties of N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine?
N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-but-3-enoxy-4-methylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 83188963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).