1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine

C12H21N3 — CID 63719459

IUPAC1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
SMILESCCC(C)c1ncc(C(C)NC)c(C)n1
InChIInChI=1S/C12H21N3/c1-6-8(2)12-14-7-11(9(3)13-5)10(4)15-12/h7-9,13H,6H2,1-5H3
InChIKeyCKTAIOQGFOAQNY-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.58
Rot. Bonds4

About 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine

1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine (PubChem CID 63719459) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
PubChem CID63719459
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine
SMILESCCC(C)c1ncc(C(C)NC)c(C)n1
InChIInChI=1S/C12H21N3/c1-6-8(2)12-14-7-11(9(3)13-5)10(4)15-12/h7-9,13H,6H2,1-5H3
InChIKeyCKTAIOQGFOAQNY-UHFFFAOYSA-N
XLogP2.58
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine?
The IUPAC name of 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine (CID 63719459) is 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine.
What is the SMILES notation for 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine?
The canonical SMILES for 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine is CCC(C)c1ncc(C(C)NC)c(C)n1.
What is the InChIKey of 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine?
The InChIKey is CKTAIOQGFOAQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-6-8(2)12-14-7-11(9(3)13-5)10(4)15-12/h7-9,13H,6H2,1-5H3.
What are the key properties of 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine?
1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine has a molecular weight of 207.32 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-butan-2-yl-4-methylpyrimidin-5-yl)-N-methylethanamine is sourced from PubChem (CID 63719459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).