6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione

C10H16N2O3 — CID 112598984

IUPAC6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
SMILESCCCC(C)n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-6(2)12-9(14)7(3)8(13)11-10(12)15/h6,14H,4-5H2,1-3H3,(H,11,13,15)
InChIKeyHMHKTEOOHAIVQN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.91
Rot. Bonds3

About 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione

6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione (PubChem CID 112598984) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
PubChem CID112598984
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
SMILESCCCC(C)n1c(O)c(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H16N2O3/c1-4-5-6(2)12-9(14)7(3)8(13)11-10(12)15/h6,14H,4-5H2,1-3H3,(H,11,13,15)
InChIKeyHMHKTEOOHAIVQN-UHFFFAOYSA-N
XLogP0.91
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione (CID 112598984) is 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione is CCCC(C)n1c(O)c(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione?
The InChIKey is HMHKTEOOHAIVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-5-6(2)12-9(14)7(3)8(13)11-10(12)15/h6,14H,4-5H2,1-3H3,(H,11,13,15).
What are the key properties of 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione has a molecular weight of 212.25 g/mol, XLogP of 0.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 112598984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).