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

C12H12N2O2 — CID 10376005

IUPAC5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8-4-2-3-5-9(8)6-10-7-13-12(16)14-11(10)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyWTJPOYPCNDZAHO-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.96
Rot. Bonds2

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

5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione (PubChem CID 10376005) has the molecular formula C12H12N2O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
PubChem CID10376005
Molecular FormulaC12H12N2O2
Molecular Weight216.24 g/mol
Exact Mass216.09
IUPAC Name5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione
SMILESCc1ccccc1Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H12N2O2/c1-8-4-2-3-5-9(8)6-10-7-13-12(16)14-11(10)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16)
InChIKeyWTJPOYPCNDZAHO-UHFFFAOYSA-N
XLogP0.96
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione (CID 10376005) is 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione is Cc1ccccc1Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is WTJPOYPCNDZAHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2/c1-8-4-2-3-5-9(8)6-10-7-13-12(16)14-11(10)15/h2-5,7H,6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione?
5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 216.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methylphenyl)methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 10376005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).