6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione

C7H10N2O3 — CID 18512447

IUPAC6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h10H,1-3H3
InChIKeyCQWJYYCCCHVHFP-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.90
Rot. Bonds

About 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione

6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione (PubChem CID 18512447) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione
PubChem CID18512447
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Name6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(O)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h10H,1-3H3
InChIKeyCQWJYYCCCHVHFP-UHFFFAOYSA-N
XLogP-0.90
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione (CID 18512447) is 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione is Cc1c(O)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione?
The InChIKey is CQWJYYCCCHVHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-4-5(10)8(2)7(12)9(3)6(4)11/h10H,1-3H3.
What are the key properties of 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione?
6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione has a molecular weight of 170.17 g/mol, XLogP of -0.90, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,3,5-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18512447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).