2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine

C12H21N3 — CID 63892597

IUPAC2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(CC(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-9-7-10(5-6-13)15-11(14-9)8-12(2,3)4/h7H,5-6,8,13H2,1-4H3
InChIKeyFOVPIDMYLLLPSQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.87
Rot. Bonds3

About 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine

2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine (PubChem CID 63892597) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine
PubChem CID63892597
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine
SMILESCc1cc(CCN)nc(CC(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-9-7-10(5-6-13)15-11(14-9)8-12(2,3)4/h7H,5-6,8,13H2,1-4H3
InChIKeyFOVPIDMYLLLPSQ-UHFFFAOYSA-N
XLogP1.87
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
The IUPAC name of 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine (CID 63892597) is 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine.
What is the SMILES notation for 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
The canonical SMILES for 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine is Cc1cc(CCN)nc(CC(C)(C)C)n1.
What is the InChIKey of 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
The InChIKey is FOVPIDMYLLLPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9-7-10(5-6-13)15-11(14-9)8-12(2,3)4/h7H,5-6,8,13H2,1-4H3.
What are the key properties of 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine?
2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-dimethylpropyl)-6-methylpyrimidin-4-yl]ethanamine is sourced from PubChem (CID 63892597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).