5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione

C17H14N2O2 — CID 102443684

IUPAC5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-12-15(13-8-4-2-5-9-13)18-17(21)19(16(12)20)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21)
InChIKeyNXHYDRFFVDWFQW-UHFFFAOYSA-N
MW278.31 g/mol
LogP2.50
Rot. Bonds2

About 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione

5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione (PubChem CID 102443684) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
PubChem CID102443684
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione
SMILESCc1c(-c2ccccc2)[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C17H14N2O2/c1-12-15(13-8-4-2-5-9-13)18-17(21)19(16(12)20)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21)
InChIKeyNXHYDRFFVDWFQW-UHFFFAOYSA-N
XLogP2.50
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dimethyl-5-phenyl-1H-pyrazol-3-one
CID 10899399
[3-(4-methoxyphenyl)-2,4-dioxo-6-phenyl-1H-pyrimidin-5-yl]phosphonic acid
CID 100959268
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1H-imidazol-2-one
CID 24786909
5-methyl-3,6-diphenyl-1,3-oxazine-2,4-dione
CID 13219285
5-fluoro-6-phenyl-3-[4-(trifluoromethoxy)phenyl]-1H-pyrimidine-2,4-dione
CID 19896214
3-methyl-6-phenyl-8H-pyrimido[5,4-e][1,2,4]triazine-5,7-dione
CID 68654276
5-methyl-4,6-diphenyl-1H-pyridin-2-one
CID 14120548
4-hydroxy-5-methyl-3,6-diphenyl-1H-pyridin-2-one
CID 54683716
1-phenyl-7,9-dihydro-3H-purine-2,6,8-trione
CID 70117113
2-oxo-3,4-diphenyl-1H-imidazole-5-carboxylic acid
CID 24998965
2-cycloheptyl-4-methyl-5-phenyl-1H-pyrazol-3-one
CID 104844889
3,7-diphenyl-1H-benzimidazol-2-one
CID 174623828

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione (CID 102443684) is 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione is Cc1c(-c2ccccc2)[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione?
The InChIKey is NXHYDRFFVDWFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12-15(13-8-4-2-5-9-13)18-17(21)19(16(12)20)14-10-6-3-7-11-14/h2-11H,1H3,(H,18,21).
What are the key properties of 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione?
5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione has a molecular weight of 278.31 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3,6-diphenyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 102443684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).