3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one

C11H19N3O — CID 63769353

IUPAC3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(C)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-5-12-9(3)7-14-10(4)13-8(2)6-11(14)15/h6,9,12H,5,7H2,1-4H3
InChIKeyMBRRVMLRGHPHTQ-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.86
Rot. Bonds4

About 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one

3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 63769353) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one
PubChem CID63769353
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one
SMILESCCNC(C)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-5-12-9(3)7-14-10(4)13-8(2)6-11(14)15/h6,9,12H,5,7H2,1-4H3
InChIKeyMBRRVMLRGHPHTQ-UHFFFAOYSA-N
XLogP0.86
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one (CID 63769353) is 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one is CCNC(C)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is MBRRVMLRGHPHTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-5-12-9(3)7-14-10(4)13-8(2)6-11(14)15/h6,9,12H,5,7H2,1-4H3.
What are the key properties of 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one?
3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 209.29 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)propyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 63769353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).