N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine

C13H21N3O — CID 102923393

IUPACN-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
SMILESCCNC(CC1CCOCC1)c1cncnc1
InChIInChI=1S/C13H21N3O/c1-2-16-13(12-8-14-10-15-9-12)7-11-3-5-17-6-4-11/h8-11,13,16H,2-7H2,1H3
InChIKeyXOQOLZNXZMBGTF-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.94
Rot. Bonds5

About N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine

N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine (PubChem CID 102923393) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
PubChem CID102923393
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine
SMILESCCNC(CC1CCOCC1)c1cncnc1
InChIInChI=1S/C13H21N3O/c1-2-16-13(12-8-14-10-15-9-12)7-11-3-5-17-6-4-11/h8-11,13,16H,2-7H2,1H3
InChIKeyXOQOLZNXZMBGTF-UHFFFAOYSA-N
XLogP1.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylpyrazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 65195339
N-ethyl-2-(oxolan-3-yl)-1-pyridin-3-ylethanamine
CID 103987178
N-ethyl-1-(3-methylimidazol-4-yl)-2-(oxan-4-yl)ethanamine
CID 82903049
1-(4-bromo-3,5-dimethylphenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 114330620
N-ethyl-1-(3-methoxy-4-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105065449
1-(3-bromo-5-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 66424651
1-(4-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847063
2-cyclopropyl-N-ethyl-1-pyridin-4-ylethanamine
CID 64906307
N-ethyl-2-(oxan-4-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126820
1-(5-chlorofuran-2-yl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 106691857
1-(4-chlorophenyl)-N-ethyl-2-(oxolan-3-yl)ethanamine
CID 103987271
N-[oxan-3-yl(pyrimidin-5-yl)methyl]ethanamine
CID 65332037

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine?
The IUPAC name of N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine (CID 102923393) is N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine.
What is the SMILES notation for N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine?
The canonical SMILES for N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine is CCNC(CC1CCOCC1)c1cncnc1.
What is the InChIKey of N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine?
The InChIKey is XOQOLZNXZMBGTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-16-13(12-8-14-10-15-9-12)7-11-3-5-17-6-4-11/h8-11,13,16H,2-7H2,1H3.
What are the key properties of N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine?
N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxan-4-yl)-1-pyrimidin-5-ylethanamine is sourced from PubChem (CID 102923393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).