3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine

C13H21N3O2 — CID 62760624

IUPAC3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESc1ncc(CNCCCOCC2CCCO2)cn1
InChIInChI=1S/C13H21N3O2/c1-3-13(18-6-1)10-17-5-2-4-14-7-12-8-15-11-16-9-12/h8-9,11,13-14H,1-7,10H2
InChIKeyXRMMEUVOTXKTMK-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.15
Rot. Bonds8

About 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine

3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine (PubChem CID 62760624) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
PubChem CID62760624
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine
SMILESc1ncc(CNCCCOCC2CCCO2)cn1
InChIInChI=1S/C13H21N3O2/c1-3-13(18-6-1)10-17-5-2-4-14-7-12-8-15-11-16-9-12/h8-9,11,13-14H,1-7,10H2
InChIKeyXRMMEUVOTXKTMK-UHFFFAOYSA-N
XLogP1.15
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.15
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

3-(oxolan-2-ylmethoxy)-N-(pyrazin-2-ylmethyl)propan-1-amine
CID 62762499
N-[(6-methoxy-3-pyridinyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 114936359
N-[(3,4-difluorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182506
N-[(3-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115682207
N-[(4-bromo-3-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 103581519
N-[(2-chlorophenyl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43182486
3-(oxolan-2-ylmethoxy)-N-[(3-phenoxyphenyl)methyl]propan-1-amine
CID 75858662
3-(oxolan-2-ylmethoxy)-N-(2-phenylethyl)propan-1-amine
CID 43182521
N-[3-(oxolan-2-ylmethoxy)propyl]-3-phenylpropan-1-amine
CID 43182561
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 43183574
N-[(1-methyltriazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 55113602
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 115885370

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine (CID 62760624) is 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine is c1ncc(CNCCCOCC2CCCO2)cn1.
What is the InChIKey of 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine?
The InChIKey is XRMMEUVOTXKTMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-13(18-6-1)10-17-5-2-4-14-7-12-8-15-11-16-9-12/h8-9,11,13-14H,1-7,10H2.
What are the key properties of 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine?
3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine has a molecular weight of 251.33 g/mol, XLogP of 1.15, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethoxy)-N-(pyrimidin-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 62760624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).