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

C10H16N2O3 — CID 54118429

IUPAC5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h13H,4-6H2,1-3H3
InChIKeyNLYRYUNXSYSDDE-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.13
Rot. Bonds3

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

5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 54118429) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
PubChem CID54118429
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione
SMILESCCCCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h13H,4-6H2,1-3H3
InChIKeyNLYRYUNXSYSDDE-UHFFFAOYSA-N
XLogP0.13
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione (CID 54118429) is 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is CCCCc1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is NLYRYUNXSYSDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-6-7-8(13)11(2)10(15)12(3)9(7)14/h13H,4-6H2,1-3H3.
What are the key properties of 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione?
5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-6-hydroxy-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54118429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).