acetic acid;5-methyl-1H-pyrimidine-2,4-dione

C7H10N2O4 — CID 22007969

IUPACacetic acid;5-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)O.Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C2H4O2/c1-3-2-6-5(9)7-4(3)8;1-2(3)4/h2H,1H3,(H2,6,7,8,9);1H3,(H,3,4)
InChIKeyUGJJZVWTUBNETA-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.54
Rot. Bonds

About acetic acid;5-methyl-1H-pyrimidine-2,4-dione

acetic acid;5-methyl-1H-pyrimidine-2,4-dione (PubChem CID 22007969) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is acetic acid;5-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Nameacetic acid;5-methyl-1H-pyrimidine-2,4-dione
PubChem CID22007969
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Nameacetic acid;5-methyl-1H-pyrimidine-2,4-dione
SMILESCC(=O)O.Cc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H6N2O2.C2H4O2/c1-3-2-6-5(9)7-4(3)8;1-2(3)4/h2H,1H3,(H2,6,7,8,9);1H3,(H,3,4)
InChIKeyUGJJZVWTUBNETA-UHFFFAOYSA-N
XLogP-0.54
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of acetic acid;5-methyl-1H-pyrimidine-2,4-dione (CID 22007969) is acetic acid;5-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for acetic acid;5-methyl-1H-pyrimidine-2,4-dione is CC(=O)O.Cc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is UGJJZVWTUBNETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O2.C2H4O2/c1-3-2-6-5(9)7-4(3)8;1-2(3)4/h2H,1H3,(H2,6,7,8,9);1H3,(H,3,4).
What are the key properties of acetic acid;5-methyl-1H-pyrimidine-2,4-dione?
acetic acid;5-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 186.17 g/mol, XLogP of -0.54, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;5-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 22007969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).