3-methyl-6-phenyl-1H-pyrimidine-2,4-dione

C11H10N2O2 — CID 2306694

IUPAC3-methyl-6-phenyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H10N2O2/c1-13-10(14)7-9(12-11(13)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)
InChIKeyPEVQVOGHJZJMBL-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.74
Rot. Bonds1

About 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione

3-methyl-6-phenyl-1H-pyrimidine-2,4-dione (PubChem CID 2306694) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-methyl-6-phenyl-1H-pyrimidine-2,4-dione
PubChem CID2306694
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name3-methyl-6-phenyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C11H10N2O2/c1-13-10(14)7-9(12-11(13)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15)
InChIKeyPEVQVOGHJZJMBL-UHFFFAOYSA-N
XLogP0.74
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 ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione (CID 2306694) is 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione?
The InChIKey is PEVQVOGHJZJMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-13-10(14)7-9(12-11(13)15)8-5-3-2-4-6-8/h2-7H,1H3,(H,12,15).
What are the key properties of 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione?
3-methyl-6-phenyl-1H-pyrimidine-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of 0.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2306694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).