1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione

C15H19N3O3 — CID 71722725

IUPAC1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione
SMILESNc1ccc(OCCCCCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H19N3O3/c16-12-4-6-13(7-5-12)21-11-3-1-2-9-18-10-8-14(19)17-15(18)20/h4-8,10H,1-3,9,11,16H2,(H,17,19,20)
InChIKeyHHJSWRVZXGQXDP-UHFFFAOYSA-N
MW289.33 g/mol
LogP1.37
Rot. Bonds7

About 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione

1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione (PubChem CID 71722725) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione
PubChem CID71722725
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione
SMILESNc1ccc(OCCCCCn2ccc(=O)[nH]c2=O)cc1
InChIInChI=1S/C15H19N3O3/c16-12-4-6-13(7-5-12)21-11-3-1-2-9-18-10-8-14(19)17-15(18)20/h4-8,10H,1-3,9,11,16H2,(H,17,19,20)
InChIKeyHHJSWRVZXGQXDP-UHFFFAOYSA-N
XLogP1.37
TPSA90.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione (CID 71722725) is 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione is Nc1ccc(OCCCCCn2ccc(=O)[nH]c2=O)cc1.
What is the InChIKey of 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione?
The InChIKey is HHJSWRVZXGQXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c16-12-4-6-13(7-5-12)21-11-3-1-2-9-18-10-8-14(19)17-15(18)20/h4-8,10H,1-3,9,11,16H2,(H,17,19,20).
What are the key properties of 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione?
1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione has a molecular weight of 289.33 g/mol, XLogP of 1.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-aminophenoxy)pentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 71722725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).