5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione

C10H17N3O2 — CID 15485644

IUPAC5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-4-5-6-13-7(2)8(11)9(14)12(3)10(13)15/h4-6,11H2,1-3H3
InChIKeyNGUHWFUGSZTPGV-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.24
Rot. Bonds3

About 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione

5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 15485644) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione
PubChem CID15485644
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione
SMILESCCCCn1c(C)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C10H17N3O2/c1-4-5-6-13-7(2)8(11)9(14)12(3)10(13)15/h4-6,11H2,1-3H3
InChIKeyNGUHWFUGSZTPGV-UHFFFAOYSA-N
XLogP0.24
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione (CID 15485644) is 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione is CCCCn1c(C)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is NGUHWFUGSZTPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-4-5-6-13-7(2)8(11)9(14)12(3)10(13)15/h4-6,11H2,1-3H3.
What are the key properties of 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione?
5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-butyl-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 15485644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).