6-methyl-1-phenylpyrimidine-2,4-dione

C11H10N2O2 — CID 608692

IUPAC6-methyl-1-phenylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15)
InChIKeyMZDMOBOWCAGJFS-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.83
Rot. Bonds1

About 6-methyl-1-phenylpyrimidine-2,4-dione

6-methyl-1-phenylpyrimidine-2,4-dione (PubChem CID 608692) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 6-methyl-1-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-methyl-1-phenylpyrimidine-2,4-dione
PubChem CID608692
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name6-methyl-1-phenylpyrimidine-2,4-dione
SMILESCc1cc(=O)[nH]c(=O)n1-c1ccccc1
InChIInChI=1S/C11H10N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15)
InChIKeyMZDMOBOWCAGJFS-UHFFFAOYSA-N
XLogP0.83
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenylpyrimidine-2,4-dione?
The IUPAC name of 6-methyl-1-phenylpyrimidine-2,4-dione (CID 608692) is 6-methyl-1-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 6-methyl-1-phenylpyrimidine-2,4-dione?
The canonical SMILES for 6-methyl-1-phenylpyrimidine-2,4-dione is Cc1cc(=O)[nH]c(=O)n1-c1ccccc1.
What is the InChIKey of 6-methyl-1-phenylpyrimidine-2,4-dione?
The InChIKey is MZDMOBOWCAGJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-8-7-10(14)12-11(15)13(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,12,14,15).
What are the key properties of 6-methyl-1-phenylpyrimidine-2,4-dione?
6-methyl-1-phenylpyrimidine-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 608692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).