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

C13H23N3 — CID 63891756

IUPAC1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(CC(C)(C)C)nc1C
InChIInChI=1S/C13H23N3/c1-9(14-6)11-8-15-12(16-10(11)2)7-13(3,4)5/h8-9,14H,7H2,1-6H3
InChIKeyOJLOHSYJUTWASI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.65
Rot. Bonds3

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

1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (PubChem CID 63891756) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
PubChem CID63891756
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine
SMILESCNC(C)c1cnc(CC(C)(C)C)nc1C
InChIInChI=1S/C13H23N3/c1-9(14-6)11-8-15-12(16-10(11)2)7-13(3,4)5/h8-9,14H,7H2,1-6H3
InChIKeyOJLOHSYJUTWASI-UHFFFAOYSA-N
XLogP2.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine (CID 63891756) is 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is CNC(C)c1cnc(CC(C)(C)C)nc1C.
What is the InChIKey of 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
The InChIKey is OJLOHSYJUTWASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-9(14-6)11-8-15-12(16-10(11)2)7-13(3,4)5/h8-9,14H,7H2,1-6H3.
What are the key properties of 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine?
1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine has a molecular weight of 221.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-dimethylpropyl)-4-methylpyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 63891756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).