6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione

C11H20N4O2 — CID 2398074

IUPAC6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCCNc1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-3-5-6-13-8-9(12)15(7-4-2)11(17)14-10(8)16/h13H,3-7,12H2,1-2H3,(H,14,16,17)
InChIKeyNRFSRNQYQZSBOL-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.74
Rot. Bonds6

About 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione

6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione (PubChem CID 2398074) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione
PubChem CID2398074
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione
SMILESCCCCNc1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C11H20N4O2/c1-3-5-6-13-8-9(12)15(7-4-2)11(17)14-10(8)16/h13H,3-7,12H2,1-2H3,(H,14,16,17)
InChIKeyNRFSRNQYQZSBOL-UHFFFAOYSA-N
XLogP0.74
TPSA92.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(butylamino)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione (CID 2398074) is 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione is CCCCNc1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione?
The InChIKey is NRFSRNQYQZSBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-3-5-6-13-8-9(12)15(7-4-2)11(17)14-10(8)16/h13H,3-7,12H2,1-2H3,(H,14,16,17).
What are the key properties of 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione?
6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione has a molecular weight of 240.31 g/mol, XLogP of 0.74, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(butylamino)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 2398074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).