6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione

C13H24N4O3 — CID 115571526

IUPAC6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
SMILESCCCCOCCCNc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O3/c1-3-5-8-20-9-6-7-15-10-11(14)17(4-2)13(19)16-12(10)18/h15H,3-9,14H2,1-2H3,(H,16,18,19)
InChIKeyZKNWEFFEXPHBBL-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.76
Rot. Bonds9

About 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione

6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione (PubChem CID 115571526) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
PubChem CID115571526
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione
SMILESCCCCOCCCNc1c(N)n(CC)c(=O)[nH]c1=O
InChIInChI=1S/C13H24N4O3/c1-3-5-8-20-9-6-7-15-10-11(14)17(4-2)13(19)16-12(10)18/h15H,3-9,14H2,1-2H3,(H,16,18,19)
InChIKeyZKNWEFFEXPHBBL-UHFFFAOYSA-N
XLogP0.76
TPSA102.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione (CID 115571526) is 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione is CCCCOCCCNc1c(N)n(CC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione?
The InChIKey is ZKNWEFFEXPHBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-3-5-8-20-9-6-7-15-10-11(14)17(4-2)13(19)16-12(10)18/h15H,3-9,14H2,1-2H3,(H,16,18,19).
What are the key properties of 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione?
6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione has a molecular weight of 284.36 g/mol, XLogP of 0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-butoxypropylamino)-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 115571526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).