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

C6H8N2O3 — CID 54540498

IUPAC6-hydroxy-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-3-4(9)7-6(11)8(2)5(3)10/h10H,1-2H3,(H,7,9,11)
InChIKeyZCVOXOLLDRQQSZ-UHFFFAOYSA-N
MW156.14 g/mol
LogP-0.91
Rot. Bonds

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

6-hydroxy-1,5-dimethylpyrimidine-2,4-dione (PubChem CID 54540498) has the molecular formula C6H8N2O3 and a molecular weight of 156.14 g/mol. Its IUPAC name is 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,5-dimethylpyrimidine-2,4-dione
PubChem CID54540498
Molecular FormulaC6H8N2O3
Molecular Weight156.14 g/mol
Exact Mass156.05
IUPAC Name6-hydroxy-1,5-dimethylpyrimidine-2,4-dione
SMILESCc1c(O)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3/c1-3-4(9)7-6(11)8(2)5(3)10/h10H,1-2H3,(H,7,9,11)
InChIKeyZCVOXOLLDRQQSZ-UHFFFAOYSA-N
XLogP-0.91
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.14
LogP ≤ 5-0.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione (CID 54540498) is 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione is Cc1c(O)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
The InChIKey is ZCVOXOLLDRQQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-3-4(9)7-6(11)8(2)5(3)10/h10H,1-2H3,(H,7,9,11).
What are the key properties of 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione?
6-hydroxy-1,5-dimethylpyrimidine-2,4-dione has a molecular weight of 156.14 g/mol, XLogP of -0.91, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,5-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 54540498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).