3-[4-(ethylamino)butyl]pyrimidin-4-one

C10H17N3O — CID 63793673

IUPAC3-[4-(ethylamino)butyl]pyrimidin-4-one
SMILESCCNCCCCn1cnccc1=O
InChIInChI=1S/C10H17N3O/c1-2-11-6-3-4-8-13-9-12-7-5-10(13)14/h5,7,9,11H,2-4,6,8H2,1H3
InChIKeyOLDGYSZKMCFGBO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.63
Rot. Bonds6

About 3-[4-(ethylamino)butyl]pyrimidin-4-one

3-[4-(ethylamino)butyl]pyrimidin-4-one (PubChem CID 63793673) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-[4-(ethylamino)butyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(ethylamino)butyl]pyrimidin-4-one
PubChem CID63793673
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-[4-(ethylamino)butyl]pyrimidin-4-one
SMILESCCNCCCCn1cnccc1=O
InChIInChI=1S/C10H17N3O/c1-2-11-6-3-4-8-13-9-12-7-5-10(13)14/h5,7,9,11H,2-4,6,8H2,1H3
InChIKeyOLDGYSZKMCFGBO-UHFFFAOYSA-N
XLogP0.63
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Butylamino-3-methylpyrimidin-4-one
CID 21602095
Methyl-4-oxopyrimidinium iodide
CID 129741503
3-(2-Fluorobutyl)pyrimidin-4-one
CID 130679434
Bzdcwuysfgfzbo-uhfffaoysa-
CID 12335023
3-methyl-1H-pyrimidin-3-ium-6-one
CID 21820079
3-(2-Methylpropyl)pyrimidin-4-one
CID 58125153
(8Z)-3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 58616691
3-ethyl-1H-pyrimidin-3-ium-6-one
CID 60123494
3-[2-(Methylamino)ethyl]pyrimidin-4-one
CID 63768123
3-(2-Aminoethyl)-3,4-dihydropyrimidin-4-one
CID 63769170
3-butan-2-yl-5,6-dihydro-4H-1,3,6-triazonin-7-one
CID 76839460
ethane;methoxyethane;1H-pyrimidin-6-one
CID 90742296

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylamino)butyl]pyrimidin-4-one?
The IUPAC name of 3-[4-(ethylamino)butyl]pyrimidin-4-one (CID 63793673) is 3-[4-(ethylamino)butyl]pyrimidin-4-one.
What is the SMILES notation for 3-[4-(ethylamino)butyl]pyrimidin-4-one?
The canonical SMILES for 3-[4-(ethylamino)butyl]pyrimidin-4-one is CCNCCCCn1cnccc1=O.
What is the InChIKey of 3-[4-(ethylamino)butyl]pyrimidin-4-one?
The InChIKey is OLDGYSZKMCFGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-2-11-6-3-4-8-13-9-12-7-5-10(13)14/h5,7,9,11H,2-4,6,8H2,1H3.
What are the key properties of 3-[4-(ethylamino)butyl]pyrimidin-4-one?
3-[4-(ethylamino)butyl]pyrimidin-4-one has a molecular weight of 195.27 g/mol, XLogP of 0.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylamino)butyl]pyrimidin-4-one is sourced from PubChem (CID 63793673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).