N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine

C16H21N3O2 — CID 114783188

IUPACN-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
SMILESCCOc1cc(OCCCNCc2ccccc2)ncn1
InChIInChI=1S/C16H21N3O2/c1-2-20-15-11-16(19-13-18-15)21-10-6-9-17-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,17H,2,6,9-10,12H2,1H3
InChIKeyRPVGJIZERAIYGT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.43
Rot. Bonds9

About N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine

N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine (PubChem CID 114783188) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
PubChem CID114783188
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine
SMILESCCOc1cc(OCCCNCc2ccccc2)ncn1
InChIInChI=1S/C16H21N3O2/c1-2-20-15-11-16(19-13-18-15)21-10-6-9-17-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,17H,2,6,9-10,12H2,1H3
InChIKeyRPVGJIZERAIYGT-UHFFFAOYSA-N
XLogP2.43
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-3-[(6-ethoxy-2-pyridinyl)oxy]propan-1-amine
CID 114783211
6-ethoxy-N-(3-phenylpropyl)pyrimidin-4-amine
CID 66328382
N-benzyl-3-phenoxypropan-1-amine
CID 13291924
N-[(3-ethoxyphenyl)methyl]-2-pyridin-2-yloxyethanamine;hydrochloride
CID 132893630
azane;N-benzylbutan-1-amine
CID 175388745
N-benzyl-3-[(3-ethyl-1,2,4-thiadiazol-5-yl)oxy]propan-1-amine
CID 114783134
N-benzyl-3-[(4-ethyl-1,3-thiazol-2-yl)oxy]propan-1-amine
CID 114783183
N-benzyl-2-(2-propoxyphenoxy)ethanamine
CID 62573087
N-benzyl-3-(5-iodopyrimidin-2-yl)oxypropan-1-amine
CID 114783146
N-[(2-methylsulfanylpyrimidin-5-yl)methyl]-3-pyridin-2-yloxypropan-1-amine
CID 102536033
N-benzyl-3-(5-bromopyrimidin-4-yl)oxypropan-1-amine
CID 114783141
N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine
CID 114783197

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine?
The IUPAC name of N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine (CID 114783188) is N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine.
What is the SMILES notation for N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine?
The canonical SMILES for N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine is CCOc1cc(OCCCNCc2ccccc2)ncn1.
What is the InChIKey of N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine?
The InChIKey is RPVGJIZERAIYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-2-20-15-11-16(19-13-18-15)21-10-6-9-17-12-14-7-4-3-5-8-14/h3-5,7-8,11,13,17H,2,6,9-10,12H2,1H3.
What are the key properties of N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine?
N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine has a molecular weight of 287.36 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(6-ethoxypyrimidin-4-yl)oxypropan-1-amine is sourced from PubChem (CID 114783188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).