N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine

C13H17N3O — CID 114104199

IUPACN-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccoc1CC
InChIInChI=1S/C13H17N3O/c1-3-12-11(5-6-17-12)13(16-4-2)10-7-14-9-15-8-10/h5-9,13,16H,3-4H2,1-2H3
InChIKeyBUNIZNHEACCIAK-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine

N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine (PubChem CID 114104199) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
PubChem CID114104199
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC NameN-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine
SMILESCCNC(c1cncnc1)c1ccoc1CC
InChIInChI=1S/C13H17N3O/c1-3-12-11(5-6-17-12)13(16-4-2)10-7-14-9-15-8-10/h5-9,13,16H,3-4H2,1-2H3
InChIKeyBUNIZNHEACCIAK-UHFFFAOYSA-N
XLogP2.33
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethylfuran-3-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 114104180
N-[furan-2-yl(pyrimidin-5-yl)methyl]ethanamine
CID 62715603
N-[(2-chlorofuran-3-yl)-pyrimidin-5-ylmethyl]propan-1-amine
CID 106691644
N-[pyrimidin-5-yl(quinolin-4-yl)methyl]ethanamine
CID 105119009
N-[(2-methylthiophen-3-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923988
N-[pyrimidin-5-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 115827042
N-[(2-methylquinolin-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118995
N-[2,3-dihydro-1-benzofuran-7-yl(pyrimidin-5-yl)methyl]ethanamine
CID 102923948
N-[(2,5-dimethoxyphenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 115827374
N-[(3-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]ethanamine
CID 102923869
N-[(6-methyl-3-pyridinyl)-pyrimidin-5-ylmethyl]ethanamine
CID 105118897
N-[(3,5-difluorophenyl)-pyrimidin-5-ylmethyl]ethanamine
CID 62491730

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine (CID 114104199) is N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine is CCNC(c1cncnc1)c1ccoc1CC.
What is the InChIKey of N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
The InChIKey is BUNIZNHEACCIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-12-11(5-6-17-12)13(16-4-2)10-7-14-9-15-8-10/h5-9,13,16H,3-4H2,1-2H3.
What are the key properties of N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine?
N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine has a molecular weight of 231.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylfuran-3-yl)-pyrimidin-5-ylmethyl]ethanamine is sourced from PubChem (CID 114104199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).