1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

C14H25N3O — CID 116731319

IUPAC1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(OC)C(C)(C)C)nc1C
InChIInChI=1S/C14H25N3O/c1-9(15-6)11-8-16-13(17-10(11)2)12(18-7)14(3,4)5/h8-9,12,15H,1-7H3
InChIKeySIZYJYVEWXLCIS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.80
Rot. Bonds4

About 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine

1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 116731319) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID116731319
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(C(OC)C(C)(C)C)nc1C
InChIInChI=1S/C14H25N3O/c1-9(15-6)11-8-16-13(17-10(11)2)12(18-7)14(3,4)5/h8-9,12,15H,1-7H3
InChIKeySIZYJYVEWXLCIS-UHFFFAOYSA-N
XLogP2.80
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431456
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731318
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
CID 63719459
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 63891756
1-[2-(1-ethoxybutyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731317
1-[2-[ethoxy(phenyl)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778891
1-[2-(2-ethoxybutan-2-yl)-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778892
1-[2-[cyclohexyl(ethoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116778896
N-methyl-1-[4-methyl-2-(methylsulfanylmethyl)pyrimidin-5-yl]ethanamine
CID 62771548
1-[2-(1-methoxy-2-methylpropyl)-4-methylpyrimidin-5-yl]ethanamine
CID 116731306
5-bromo-2-(1-methoxy-2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 116729820
2-(1-methoxy-2,2-dimethylpropyl)-N-methyl-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116728315

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 116731319) is 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is CNC(C)c1cnc(C(OC)C(C)(C)C)nc1C.
What is the InChIKey of 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is SIZYJYVEWXLCIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-9(15-6)11-8-16-13(17-10(11)2)12(18-7)14(3,4)5/h8-9,12,15H,1-7H3.
What are the key properties of 1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-(1-methoxy-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 251.37 g/mol, XLogP of 2.80, 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-2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 116731319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).