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

C7H10N2O2 — CID 22223251

IUPAC1,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-4-5(2)9(3)7(11)8-6(4)10/h1-3H3,(H,8,10,11)
InChIKeyNNCXZMUWQDELNF-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.31
Rot. Bonds

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

1,5,6-trimethylpyrimidine-2,4-dione (PubChem CID 22223251) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 1,5,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,5,6-trimethylpyrimidine-2,4-dione
PubChem CID22223251
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name1,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C7H10N2O2/c1-4-5(2)9(3)7(11)8-6(4)10/h1-3H3,(H,8,10,11)
InChIKeyNNCXZMUWQDELNF-UHFFFAOYSA-N
XLogP-0.31
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 1,5,6-trimethylpyrimidine-2,4-dione (CID 22223251) is 1,5,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1,5,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 1,5,6-trimethylpyrimidine-2,4-dione is Cc1c(C)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 1,5,6-trimethylpyrimidine-2,4-dione?
The InChIKey is NNCXZMUWQDELNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-4-5(2)9(3)7(11)8-6(4)10/h1-3H3,(H,8,10,11).
What are the key properties of 1,5,6-trimethylpyrimidine-2,4-dione?
1,5,6-trimethylpyrimidine-2,4-dione has a molecular weight of 154.17 g/mol, XLogP of -0.31, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 22223251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).