3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one

C17H23N3O — CID 63768833

IUPAC3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
SMILESCCCc1ccc(C(Cn2cnccc2=O)NCC)cc1
InChIInChI=1S/C17H23N3O/c1-3-5-14-6-8-15(9-7-14)16(19-4-2)12-20-13-18-11-10-17(20)21/h6-11,13,16,19H,3-5,12H2,1-2H3
InChIKeyJEPIFVFFEPWMHS-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.55
Rot. Bonds7

About 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one

3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one (PubChem CID 63768833) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
PubChem CID63768833
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one
SMILESCCCc1ccc(C(Cn2cnccc2=O)NCC)cc1
InChIInChI=1S/C17H23N3O/c1-3-5-14-6-8-15(9-7-14)16(19-4-2)12-20-13-18-11-10-17(20)21/h6-11,13,16,19H,3-5,12H2,1-2H3
InChIKeyJEPIFVFFEPWMHS-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(2,4-dimethylphenyl)-2-(ethylamino)ethyl]pyrimidin-4-one
CID 63769355
N-ethyl-1-(4-propylphenyl)-2-pyrimidin-4-ylsulfanylethanamine
CID 64626452
3-propylpyrimidin-4-one
CID 115679465
3-(2-hydroxybutyl)pyrimidin-4-one
CID 63770070
3-(2-hydroxypropyl)pyrimidin-4-one
CID 63770069
3-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyrimidin-4-one
CID 63770409
N-ethyl-1-(4-propylphenyl)-3-pyridin-3-ylpropan-1-amine
CID 105144433
1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-4-one
CID 62880658
N-ethyl-2-phenyl-1-(4-propylphenyl)ethanamine
CID 43491649
N-ethyl-1-(4-propylphenyl)-2-propylsulfonylethanamine
CID 64645122
N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)-1-(4-propylphenyl)ethanamine
CID 106927283
3-methyl-1-[2-(methylamino)-2-(4-propylphenyl)ethyl]pyridin-2-one
CID 63172597

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one?
The IUPAC name of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one (CID 63768833) is 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one is CCCc1ccc(C(Cn2cnccc2=O)NCC)cc1.
What is the InChIKey of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one?
The InChIKey is JEPIFVFFEPWMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-5-14-6-8-15(9-7-14)16(19-4-2)12-20-13-18-11-10-17(20)21/h6-11,13,16,19H,3-5,12H2,1-2H3.
What are the key properties of 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one?
3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one has a molecular weight of 285.39 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)-2-(4-propylphenyl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 63768833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).