2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one

C13H21N3O2 — CID 135848465

IUPAC2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N(CC)CC)nc(O)c(CC)c1=O
InChIInChI=1S/C13H21N3O2/c1-5-9-16-12(18)10(6-2)11(17)14-13(16)15(7-3)8-4/h5,17H,1,6-9H2,2-4H3
InChIKeyTTXYAVWKQZMJDT-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.54
Rot. Bonds6

About 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one

2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one (PubChem CID 135848465) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one
PubChem CID135848465
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(N(CC)CC)nc(O)c(CC)c1=O
InChIInChI=1S/C13H21N3O2/c1-5-9-16-12(18)10(6-2)11(17)14-13(16)15(7-3)8-4/h5,17H,1,6-9H2,2-4H3
InChIKeyTTXYAVWKQZMJDT-UHFFFAOYSA-N
XLogP1.54
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one (CID 135848465) is 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one is C=CCn1c(N(CC)CC)nc(O)c(CC)c1=O.
What is the InChIKey of 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one?
The InChIKey is TTXYAVWKQZMJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-5-9-16-12(18)10(6-2)11(17)14-13(16)15(7-3)8-4/h5,17H,1,6-9H2,2-4H3.
What are the key properties of 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one?
2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one has a molecular weight of 251.33 g/mol, XLogP of 1.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-5-ethyl-6-hydroxy-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 135848465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).