2,5-dimethyl-1H-pyrimidine-4,6-dione

C6H8N2O2 — CID 118703351

IUPAC2,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C)C(=O)N1
InChIInChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h3H,1-2H3,(H,7,8,9,10)
InChIKeyVKYFYFKZVDRIQF-UHFFFAOYSA-N
MW140.14 g/mol
LogP-0.30
Rot. Bonds

About 2,5-dimethyl-1H-pyrimidine-4,6-dione

2,5-dimethyl-1H-pyrimidine-4,6-dione (PubChem CID 118703351) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is 2,5-dimethyl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name2,5-dimethyl-1H-pyrimidine-4,6-dione
PubChem CID118703351
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Name2,5-dimethyl-1H-pyrimidine-4,6-dione
SMILESCC1=NC(=O)C(C)C(=O)N1
InChIInChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h3H,1-2H3,(H,7,8,9,10)
InChIKeyVKYFYFKZVDRIQF-UHFFFAOYSA-N
XLogP-0.30
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1H-pyrimidine-4,6-dione?
The IUPAC name of 2,5-dimethyl-1H-pyrimidine-4,6-dione (CID 118703351) is 2,5-dimethyl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 2,5-dimethyl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 2,5-dimethyl-1H-pyrimidine-4,6-dione is CC1=NC(=O)C(C)C(=O)N1.
What is the InChIKey of 2,5-dimethyl-1H-pyrimidine-4,6-dione?
The InChIKey is VKYFYFKZVDRIQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2/c1-3-5(9)7-4(2)8-6(3)10/h3H,1-2H3,(H,7,8,9,10).
What are the key properties of 2,5-dimethyl-1H-pyrimidine-4,6-dione?
2,5-dimethyl-1H-pyrimidine-4,6-dione has a molecular weight of 140.14 g/mol, XLogP of -0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 118703351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).