6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione

C14H24N4O3 — CID 106405156

IUPAC6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESC=CCCOCCNc1c(N)n(CCC)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-4-6-9-21-10-7-16-11-12(15)18(8-5-2)14(20)17(3)13(11)19/h4,16H,1,5-10,15H2,2-3H3
InChIKeyZTWNOMSXFOQPBR-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.54
Rot. Bonds9

About 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione

6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 106405156) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID106405156
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Name6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione
SMILESC=CCCOCCNc1c(N)n(CCC)c(=O)n(C)c1=O
InChIInChI=1S/C14H24N4O3/c1-4-6-9-21-10-7-16-11-12(15)18(8-5-2)14(20)17(3)13(11)19/h4,16H,1,5-10,15H2,2-3H3
InChIKeyZTWNOMSXFOQPBR-UHFFFAOYSA-N
XLogP0.54
TPSA91.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione (CID 106405156) is 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione is C=CCCOCCNc1c(N)n(CCC)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is ZTWNOMSXFOQPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-4-6-9-21-10-7-16-11-12(15)18(8-5-2)14(20)17(3)13(11)19/h4,16H,1,5-10,15H2,2-3H3.
What are the key properties of 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 296.37 g/mol, XLogP of 0.54, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-but-3-enoxyethylamino)-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 106405156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).