6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione

C8H10N2O4 — CID 909121

IUPAC6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-3-4(11)5-6(12)9-8(14)10(2)7(5)13/h13H,3H2,1-2H3,(H,9,12,14)
InChIKeyIGODOBOMXHPYLN-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.63
Rot. Bonds2

About 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione

6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione (PubChem CID 909121) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione
PubChem CID909121
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione
SMILESCCC(=O)c1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-3-4(11)5-6(12)9-8(14)10(2)7(5)13/h13H,3H2,1-2H3,(H,9,12,14)
InChIKeyIGODOBOMXHPYLN-UHFFFAOYSA-N
XLogP-0.63
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione (CID 909121) is 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione is CCC(=O)c1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione?
The InChIKey is IGODOBOMXHPYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-4(11)5-6(12)9-8(14)10(2)7(5)13/h13H,3H2,1-2H3,(H,9,12,14).
What are the key properties of 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione?
6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione has a molecular weight of 198.18 g/mol, XLogP of -0.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-methyl-5-propanoylpyrimidine-2,4-dione is sourced from PubChem (CID 909121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).