1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine

C12H21N3O — CID 116731306

IUPAC1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCOC(c1ncc(C(C)N)c(C)n1)C(C)C
InChIInChI=1S/C12H21N3O/c1-7(2)11(16-5)12-14-6-10(8(3)13)9(4)15-12/h6-8,11H,13H2,1-5H3
InChIKeyJNFNWTOBAKEWQD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds4

About 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine

1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 116731306) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID116731306
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCOC(c1ncc(C(C)N)c(C)n1)C(C)C
InChIInChI=1S/C12H21N3O/c1-7(2)11(16-5)12-14-6-10(8(3)13)9(4)15-12/h6-8,11H,13H2,1-5H3
InChIKeyJNFNWTOBAKEWQD-UHFFFAOYSA-N
XLogP2.15
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731307
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
(1S)-1-[2-(2-methoxypropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 103432077
(1R)-1-[4-methyl-2-(5-methylpyrimidin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431871
(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431456
2-[2-(1-methoxy-2-methylpropyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731574
5-fluoro-2-(1-methoxy-2-methylpropyl)-6-methylpyrimidin-4-amine
CID 116729227
(1R)-1-[2-(2-methoxy-4-methylphenyl)-4-methylpyrimidin-5-yl]ethanamine
CID 106793249
[2-(1-methoxy-2-methylpropyl)-4-propan-2-ylpyrimidin-5-yl]methanol
CID 114205111
1-[4-methyl-2-(2-methylpropyl)pyrimidin-5-yl]ethanamine
CID 62770485
ethyl 2-(1-methoxy-2-methylpropyl)-4-propylpyrimidine-5-carboxylate
CID 102972651
1-[2-(2-methoxybutan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 116778873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine (CID 116731306) is 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine is COC(c1ncc(C(C)N)c(C)n1)C(C)C.
What is the InChIKey of 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is JNFNWTOBAKEWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-7(2)11(16-5)12-14-6-10(8(3)13)9(4)15-12/h6-8,11H,13H2,1-5H3.
What are the key properties of 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine?
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 223.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 116731306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).