N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine

C12H19N3O — CID 62747716

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1nccc(CNCCC2CCCO2)n1
InChIInChI=1S/C12H19N3O/c1-10-14-7-4-11(15-10)9-13-6-5-12-3-2-8-16-12/h4,7,12-13H,2-3,5-6,8-9H2,1H3
InChIKeyJNGVLZAYJBPFKU-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.44
Rot. Bonds5

About N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine (PubChem CID 62747716) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
PubChem CID62747716
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine
SMILESCc1nccc(CNCCC2CCCO2)n1
InChIInChI=1S/C12H19N3O/c1-10-14-7-4-11(15-10)9-13-6-5-12-3-2-8-16-12/h4,7,12-13H,2-3,5-6,8-9H2,1H3
InChIKeyJNGVLZAYJBPFKU-UHFFFAOYSA-N
XLogP1.44
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 61015871
N-[(6-methyl-2-pyridinyl)methyl]-3-(oxolan-2-yl)propan-1-amine
CID 65163956
3-(oxolan-2-yl)-N-(pyridin-2-ylmethyl)propan-1-amine
CID 65164038
N-[(2-methylpyrimidin-4-yl)methyl]propan-1-amine
CID 46785088
N-[(1-methylimidazol-2-yl)methyl]-2-(oxolan-2-yl)ethanamine
CID 61039260
1-cyclohexyl-N-[(2-methylpyrimidin-4-yl)methyl]methanamine
CID 60961240
N-[(3-methylfuran-2-yl)methyl]-2-(oxan-2-yl)ethanamine
CID 103992828
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-[(5-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 115967929
2-(azepan-1-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 62748782
N-[(4-fluoro-2-methylphenyl)methyl]-2-(oxolan-2-yl)ethanamine
CID 62134783
1-(2-methylpyrimidin-4-yl)-4-(oxolan-2-yl)butan-1-amine
CID 113329530

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine (CID 62747716) is N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine is Cc1nccc(CNCCC2CCCO2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
The InChIKey is JNGVLZAYJBPFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-10-14-7-4-11(15-10)9-13-6-5-12-3-2-8-16-12/h4,7,12-13H,2-3,5-6,8-9H2,1H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 62747716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).