5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione

C15H19N3O3 — CID 82171129

IUPAC5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
SMILESCC(C)c1cccc(OCCC2=NC(=O)C(N)C(=O)N2)c1
InChIInChI=1S/C15H19N3O3/c1-9(2)10-4-3-5-11(8-10)21-7-6-12-17-14(19)13(16)15(20)18-12/h3-5,8-9,13H,6-7,16H2,1-2H3,(H,17,18,19,20)
InChIKeyZNGAKKMZVWGXIU-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.96
Rot. Bonds5

About 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione

5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione (PubChem CID 82171129) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
PubChem CID82171129
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione
SMILESCC(C)c1cccc(OCCC2=NC(=O)C(N)C(=O)N2)c1
InChIInChI=1S/C15H19N3O3/c1-9(2)10-4-3-5-11(8-10)21-7-6-12-17-14(19)13(16)15(20)18-12/h3-5,8-9,13H,6-7,16H2,1-2H3,(H,17,18,19,20)
InChIKeyZNGAKKMZVWGXIU-UHFFFAOYSA-N
XLogP0.96
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570
2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazole-5-carbohydrazide
CID 82423883
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]propan-2-amine
CID 82516430
1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanamine
CID 82104681
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
CID 134064277
[2-[2-(3-propan-2-ylphenoxy)ethyl]-1,3-thiazol-4-yl]methanethiol
CID 82516432

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione (CID 82171129) is 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione is CC(C)c1cccc(OCCC2=NC(=O)C(N)C(=O)N2)c1.
What is the InChIKey of 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione?
The InChIKey is ZNGAKKMZVWGXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)10-4-3-5-11(8-10)21-7-6-12-17-14(19)13(16)15(20)18-12/h3-5,8-9,13H,6-7,16H2,1-2H3,(H,17,18,19,20).
What are the key properties of 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione?
5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione has a molecular weight of 289.33 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[2-(3-propan-2-ylphenoxy)ethyl]-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 82171129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).