1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one

C12H21N3O — CID 61386997

IUPAC1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNC(C)(C)C)c(=O)n1
InChIInChI=1S/C12H21N3O/c1-9-8-10(2)15(11(16)14-9)7-6-13-12(3,4)5/h8,13H,6-7H2,1-5H3
InChIKeyBGUWBTSZARMDHE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.25
Rot. Bonds3

About 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one

1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one (PubChem CID 61386997) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
PubChem CID61386997
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one
SMILESCc1cc(C)n(CCNC(C)(C)C)c(=O)n1
InChIInChI=1S/C12H21N3O/c1-9-8-10(2)15(11(16)14-9)7-6-13-12(3,4)5/h8,13H,6-7H2,1-5H3
InChIKeyBGUWBTSZARMDHE-UHFFFAOYSA-N
XLogP1.25
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one (CID 61386997) is 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one is Cc1cc(C)n(CCNC(C)(C)C)c(=O)n1.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
The InChIKey is BGUWBTSZARMDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9-8-10(2)15(11(16)14-9)7-6-13-12(3,4)5/h8,13H,6-7H2,1-5H3.
What are the key properties of 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one?
1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one has a molecular weight of 223.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-4,6-dimethylpyrimidin-2-one is sourced from PubChem (CID 61386997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).