3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one

C13H21N3O2 — CID 104747406

IUPAC3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
SMILESCCNC(Cn1cnc(C)cc1=O)C1CCOC1
InChIInChI=1S/C13H21N3O2/c1-3-14-12(11-4-5-18-8-11)7-16-9-15-10(2)6-13(16)17/h6,9,11-12,14H,3-5,7-8H2,1-2H3
InChIKeyVGANQKCXBWZUFI-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.57
Rot. Bonds5

About 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one

3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one (PubChem CID 104747406) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
PubChem CID104747406
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one
SMILESCCNC(Cn1cnc(C)cc1=O)C1CCOC1
InChIInChI=1S/C13H21N3O2/c1-3-14-12(11-4-5-18-8-11)7-16-9-15-10(2)6-13(16)17/h6,9,11-12,14H,3-5,7-8H2,1-2H3
InChIKeyVGANQKCXBWZUFI-UHFFFAOYSA-N
XLogP0.57
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one (CID 104747406) is 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one is CCNC(Cn1cnc(C)cc1=O)C1CCOC1.
What is the InChIKey of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
The InChIKey is VGANQKCXBWZUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-14-12(11-4-5-18-8-11)7-16-9-15-10(2)6-13(16)17/h6,9,11-12,14H,3-5,7-8H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one?
3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(oxolan-3-yl)ethyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 104747406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).