5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione

C13H14N2O2 — CID 736451

IUPAC5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-9-5-3-4-6-11(9)8-15-7-10(2)12(16)14-13(15)17/h3-7H,8H2,1-2H3,(H,14,16,17)
InChIKeyCQQIFBDVEGXOCY-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.20
Rot. Bonds2

About 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione

5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 736451) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
PubChem CID736451
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
SMILESCc1ccccc1Cn1cc(C)c(=O)[nH]c1=O
InChIInChI=1S/C13H14N2O2/c1-9-5-3-4-6-11(9)8-15-7-10(2)12(16)14-13(15)17/h3-7H,8H2,1-2H3,(H,14,16,17)
InChIKeyCQQIFBDVEGXOCY-UHFFFAOYSA-N
XLogP1.20
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione (CID 736451) is 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione is Cc1ccccc1Cn1cc(C)c(=O)[nH]c1=O.
What is the InChIKey of 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is CQQIFBDVEGXOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9-5-3-4-6-11(9)8-15-7-10(2)12(16)14-13(15)17/h3-7H,8H2,1-2H3,(H,14,16,17).
What are the key properties of 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione?
5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 230.27 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(2-methylphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 736451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).