4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one

C11H19N3O2 — CID 136954504

IUPAC4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-5-16-11(3,4)7-12-9-6-10(15)14-8(2)13-9/h6H,5,7H2,1-4H3,(H2,12,13,14,15)
InChIKeyJUGOFHUSXULKRA-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.31
Rot. Bonds5

About 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136954504) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136954504
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCCOC(C)(C)CNc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C11H19N3O2/c1-5-16-11(3,4)7-12-9-6-10(15)14-8(2)13-9/h6H,5,7H2,1-4H3,(H2,12,13,14,15)
InChIKeyJUGOFHUSXULKRA-UHFFFAOYSA-N
XLogP1.31
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136954504) is 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one is CCOC(C)(C)CNc1cc(=O)[nH]c(C)n1.
What is the InChIKey of 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is JUGOFHUSXULKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-5-16-11(3,4)7-12-9-6-10(15)14-8(2)13-9/h6H,5,7H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 225.29 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethoxy-2-methylpropyl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136954504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).