5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione

C13H15N3O3 — CID 82171047

IUPAC5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione
SMILESCCCOc1ccc(C2=NC(=O)C(N)C(=O)N2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-7-19-9-5-3-8(4-6-9)11-15-12(17)10(14)13(18)16-11/h3-6,10H,2,7,14H2,1H3,(H,15,16,17,18)
InChIKeyJPIJSAJJXKTPBA-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.21
Rot. Bonds4

About 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione

5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione (PubChem CID 82171047) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione
PubChem CID82171047
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione
SMILESCCCOc1ccc(C2=NC(=O)C(N)C(=O)N2)cc1
InChIInChI=1S/C13H15N3O3/c1-2-7-19-9-5-3-8(4-6-9)11-15-12(17)10(14)13(18)16-11/h3-6,10H,2,7,14H2,1H3,(H,15,16,17,18)
InChIKeyJPIJSAJJXKTPBA-UHFFFAOYSA-N
XLogP0.21
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione 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

5-amino-2-(3-methoxyphenyl)-1H-pyrimidine-4,6-dione
CID 82171043
5-amino-2-[(4-methylphenoxy)methyl]-1H-pyrimidine-4,6-dione
CID 82171093
5-amino-2-[2-(3-ethylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
CID 82171128
5-amino-2-[(4-methoxyphenyl)methyl]-1H-pyrimidine-4,6-dione
CID 82171083
[2-(4-propoxyphenyl)-1H-imidazol-5-yl]methanamine
CID 82463581
5-amino-2-(furan-2-yl)-1H-pyrimidine-4,6-dione
CID 82171064
6-(4-propoxyphenyl)-1H-pyridin-2-one
CID 103695252
5-amino-2-[2-(2,3-dimethylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
CID 82171132
5-(aminomethyl)-3-(4-propoxyphenyl)-1H-pyridazin-6-one
CID 82446164
ethyl 6-(4-methoxyphenyl)-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110842831
4-(4-propoxyphenyl)benzamide
CID 23771495
6-(4-propoxyphenyl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 82554292

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione (CID 82171047) is 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione is CCCOc1ccc(C2=NC(=O)C(N)C(=O)N2)cc1.
What is the InChIKey of 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione?
The InChIKey is JPIJSAJJXKTPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-2-7-19-9-5-3-8(4-6-9)11-15-12(17)10(14)13(18)16-11/h3-6,10H,2,7,14H2,1H3,(H,15,16,17,18).
What are the key properties of 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione?
5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione has a molecular weight of 261.28 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(4-propoxyphenyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 82171047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).