6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione

C9H10N4O4 — CID 112600155

IUPAC6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2c(O)c(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H10N4O4/c1-4-7(14)11-9(16)13(8(4)15)3-6-10-5(2)12-17-6/h15H,3H2,1-2H3,(H,11,14,16)
InChIKeyCYBZXKBUFWYAPX-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.71
Rot. Bonds2

About 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione

6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112600155) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
PubChem CID112600155
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione
SMILESCc1noc(Cn2c(O)c(C)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H10N4O4/c1-4-7(14)11-9(16)13(8(4)15)3-6-10-5(2)12-17-6/h15H,3H2,1-2H3,(H,11,14,16)
InChIKeyCYBZXKBUFWYAPX-UHFFFAOYSA-N
XLogP-0.71
TPSA114.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione (CID 112600155) is 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is Cc1noc(Cn2c(O)c(C)c(=O)[nH]c2=O)n1.
What is the InChIKey of 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is CYBZXKBUFWYAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-4-7(14)11-9(16)13(8(4)15)3-6-10-5(2)12-17-6/h15H,3H2,1-2H3,(H,11,14,16).
What are the key properties of 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione?
6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 238.20 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-methyl-1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112600155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).