3-(4-amino-3-ethoxybutyl)pyrimidin-4-one

C10H17N3O2 — CID 63769685

IUPAC3-(4-amino-3-ethoxybutyl)pyrimidin-4-one
SMILESCCOC(CN)CCn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-15-9(7-11)4-6-13-8-12-5-3-10(13)14/h3,5,8-9H,2,4,6-7,11H2,1H3
InChIKeyHTIHRUNVXBSXIC-UHFFFAOYSA-N
MW211.26 g/mol
LogP-0.00
Rot. Bonds6

About 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one

3-(4-amino-3-ethoxybutyl)pyrimidin-4-one (PubChem CID 63769685) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(4-amino-3-ethoxybutyl)pyrimidin-4-one
PubChem CID63769685
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(4-amino-3-ethoxybutyl)pyrimidin-4-one
SMILESCCOC(CN)CCn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-2-15-9(7-11)4-6-13-8-12-5-3-10(13)14/h3,5,8-9H,2,4,6-7,11H2,1H3
InChIKeyHTIHRUNVXBSXIC-UHFFFAOYSA-N
XLogP-0.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-3-oxo-3-(2-propylmorpholin-4-yl)prop-1-enyl]methanimidamide
CID 123474580
3-[2-(3-Propan-2-yloxypropylamino)ethyl]pyrimidin-4-one
CID 55236851
3-[2-(4-Ethoxybutylamino)ethyl]pyrimidin-4-one
CID 55237045
3-(4-Amino-3-ethoxybutyl)-6-methylpyrimidin-4-one
CID 63071237
3-[3-(2-Methoxyethylamino)propyl]pyrimidin-4-one
CID 63768489
3-(3-Amino-2-ethoxypropyl)pyrimidin-4-one
CID 63769863
3-[2-(2-Ethoxyethylamino)ethyl]pyrimidin-4-one
CID 63793493
3-[4-(2-Methoxyethylamino)butyl]pyrimidin-4-one
CID 63794386
3-[2-(3-Methoxypropylamino)ethyl]pyrimidin-4-one
CID 63795432
3-[2-(2-Butoxyethylamino)ethyl]pyrimidin-4-one
CID 63795435
3-[2-(3-Ethoxypropylamino)ethyl]pyrimidin-4-one
CID 63795612
3-(Morpholin-2-ylmethyl)pyrimidin-4-one
CID 64534461

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one?
The IUPAC name of 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one (CID 63769685) is 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one.
What is the SMILES notation for 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one?
The canonical SMILES for 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one is CCOC(CN)CCn1cnccc1=O.
What is the InChIKey of 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one?
The InChIKey is HTIHRUNVXBSXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-2-15-9(7-11)4-6-13-8-12-5-3-10(13)14/h3,5,8-9H,2,4,6-7,11H2,1H3.
What are the key properties of 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one?
3-(4-amino-3-ethoxybutyl)pyrimidin-4-one has a molecular weight of 211.26 g/mol, XLogP of -0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-ethoxybutyl)pyrimidin-4-one is sourced from PubChem (CID 63769685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).