5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one

C12H21N3O — CID 71110199

IUPAC5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one
SMILESCCc1nc(NC)n(C)c(=O)c1C(C)(C)C
InChIInChI=1S/C12H21N3O/c1-7-8-9(12(2,3)4)10(16)15(6)11(13-5)14-8/h7H2,1-6H3,(H,13,14)
InChIKeyOXQOWORINRNVIW-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.68
Rot. Bonds2

About 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one

5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one (PubChem CID 71110199) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one.

Molecular Properties

Compound Name5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one
PubChem CID71110199
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one
SMILESCCc1nc(NC)n(C)c(=O)c1C(C)(C)C
InChIInChI=1S/C12H21N3O/c1-7-8-9(12(2,3)4)10(16)15(6)11(13-5)14-8/h7H2,1-6H3,(H,13,14)
InChIKeyOXQOWORINRNVIW-UHFFFAOYSA-N
XLogP1.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one?
The IUPAC name of 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one (CID 71110199) is 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one.
What is the SMILES notation for 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one?
The canonical SMILES for 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one is CCc1nc(NC)n(C)c(=O)c1C(C)(C)C.
What is the InChIKey of 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one?
The InChIKey is OXQOWORINRNVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-7-8-9(12(2,3)4)10(16)15(6)11(13-5)14-8/h7H2,1-6H3,(H,13,14).
What are the key properties of 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one?
5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one has a molecular weight of 223.32 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-6-ethyl-3-methyl-2-(methylamino)pyrimidin-4-one is sourced from PubChem (CID 71110199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).