2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine

C11H19N3O — CID 116776051

IUPAC2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCCOC(C)(CC)c1nccc(NC)n1
InChIInChI=1S/C11H19N3O/c1-5-11(3,15-6-2)10-13-8-7-9(12-4)14-10/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyNUVXLEJRORJVKO-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.18
Rot. Bonds5

About 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine

2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine (PubChem CID 116776051) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
PubChem CID116776051
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine
SMILESCCOC(C)(CC)c1nccc(NC)n1
InChIInChI=1S/C11H19N3O/c1-5-11(3,15-6-2)10-13-8-7-9(12-4)14-10/h7-8H,5-6H2,1-4H3,(H,12,13,14)
InChIKeyNUVXLEJRORJVKO-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The IUPAC name of 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine (CID 116776051) is 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine is CCOC(C)(CC)c1nccc(NC)n1.
What is the InChIKey of 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
The InChIKey is NUVXLEJRORJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-11(3,15-6-2)10-13-8-7-9(12-4)14-10/h7-8H,5-6H2,1-4H3,(H,12,13,14).
What are the key properties of 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine?
2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine has a molecular weight of 209.29 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxybutan-2-yl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 116776051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).