N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine

C13H21N3O — CID 113260324

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1nccc(CNC(C)C2CCOCC2)n1
InChIInChI=1S/C13H21N3O/c1-10(12-4-7-17-8-5-12)15-9-13-3-6-14-11(2)16-13/h3,6,10,12,15H,4-5,7-9H2,1-2H3
InChIKeyMEFGRAUQAJVJEL-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.69
Rot. Bonds4

About N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine

N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine (PubChem CID 113260324) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine
PubChem CID113260324
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine
SMILESCc1nccc(CNC(C)C2CCOCC2)n1
InChIInChI=1S/C13H21N3O/c1-10(12-4-7-17-8-5-12)15-9-13-3-6-14-11(2)16-13/h3,6,10,12,15H,4-5,7-9H2,1-2H3
InChIKeyMEFGRAUQAJVJEL-UHFFFAOYSA-N
XLogP1.69
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-methylpiperidin-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]ethanamine
CID 54901970
N-cyclopropyl-2-[(2-methylpyrimidin-4-yl)methylamino]propanamide
CID 54902257
N-[(3-methylfuran-2-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699095
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 61016275
N-[(2-methylpyrazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115699091
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103768994
1-(oxan-4-yl)-N-(quinolin-6-ylmethyl)ethanamine
CID 103769027
1-cyclopropyl-N-(pyrimidin-4-ylmethyl)ethanamine
CID 62760766
N-[(4-ethylphenyl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769025
N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 103769057
N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-(oxan-4-yl)ethanamine
CID 115891158
1-(oxan-4-yl)-N-[(2-phenyltriazol-4-yl)methyl]ethanamine
CID 103769065

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine (CID 113260324) is N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine is Cc1nccc(CNC(C)C2CCOCC2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine?
The InChIKey is MEFGRAUQAJVJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-10(12-4-7-17-8-5-12)15-9-13-3-6-14-11(2)16-13/h3,6,10,12,15H,4-5,7-9H2,1-2H3.
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine?
N-[(2-methylpyrimidin-4-yl)methyl]-1-(oxan-4-yl)ethanamine has a molecular weight of 235.33 g/mol, XLogP of 1.69, 4 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]-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 113260324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).