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

C12H16N4O4 — CID 106422345

IUPAC6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1nc(CCn2c(O)c(C(C)C)c(=O)[nH]c2=O)no1
InChIInChI=1S/C12H16N4O4/c1-6(2)9-10(17)14-12(19)16(11(9)18)5-4-8-13-7(3)20-15-8/h6,18H,4-5H2,1-3H3,(H,14,17,19)
InChIKeyDUVYZZKFLFMGAX-UHFFFAOYSA-N
MW280.28 g/mol
LogP0.30
Rot. Bonds4

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

6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione (PubChem CID 106422345) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
PubChem CID106422345
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Name6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
SMILESCc1nc(CCn2c(O)c(C(C)C)c(=O)[nH]c2=O)no1
InChIInChI=1S/C12H16N4O4/c1-6(2)9-10(17)14-12(19)16(11(9)18)5-4-8-13-7(3)20-15-8/h6,18H,4-5H2,1-3H3,(H,14,17,19)
InChIKeyDUVYZZKFLFMGAX-UHFFFAOYSA-N
XLogP0.30
TPSA114.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione with MolForge

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Related Compounds

6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 113494336
6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006139
6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 114155514
3-methyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-9H-purine-2,6,8-trione
CID 70395076
4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3-propan-2-yl-1H-1,2,4-triazole-5-thione
CID 106419304
3-butan-2-yl-6-methyl-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-2,5-dione
CID 106421974
3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-2-sulfanylidene-1H-quinazolin-4-one
CID 106420110
2-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]butanoic acid
CID 106416017
5-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-imidazole-2-thione
CID 106420700
2-[1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]ethyl]benzene-1,3-diol
CID 106413806
1-(5-methyl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 12955451
5-methyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-1H-benzimidazole-2-thione
CID 106419382

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione (CID 106422345) is 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione is Cc1nc(CCn2c(O)c(C(C)C)c(=O)[nH]c2=O)no1.
What is the InChIKey of 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione?
The InChIKey is DUVYZZKFLFMGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-6(2)9-10(17)14-12(19)16(11(9)18)5-4-8-13-7(3)20-15-8/h6,18H,4-5H2,1-3H3,(H,14,17,19).
What are the key properties of 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione?
6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione has a molecular weight of 280.28 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione is sourced from PubChem (CID 106422345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).