(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate

C7H8N2O4 — CID 14341509

IUPAC(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
SMILESCC(=O)Oc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-3-5(13-4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12)
InChIKeyPAPNVSLHAZOKFY-UHFFFAOYSA-N
MW184.15 g/mol
LogP-0.70
Rot. Bonds1

About (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate

(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate (PubChem CID 14341509) has the molecular formula C7H8N2O4 and a molecular weight of 184.15 g/mol. Its IUPAC name is (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate.

Molecular Properties

Compound Name(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
PubChem CID14341509
Molecular FormulaC7H8N2O4
Molecular Weight184.15 g/mol
Exact Mass184.05
IUPAC Name(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate
SMILESCC(=O)Oc1c(C)[nH]c(=O)[nH]c1=O
InChIInChI=1S/C7H8N2O4/c1-3-5(13-4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12)
InChIKeyPAPNVSLHAZOKFY-UHFFFAOYSA-N
XLogP-0.70
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-6-methylpyrimidine-2,4(1H,3H)-dione
CID 66996510
6-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl methacrylate
CID 12140324
5-Acetoxy-6-(acetoxymethyl)uracil
CID 13015851
(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl) acetate
CID 19044659
5-Ethoxy-2,6-dihydroxypyrimidine-4-carboxylic acid
CID 67295427
5-Ethoxy-2,6-dihydroxy-pyrimidine-4-carboxylic acid ethyl ester
CID 67295466
ethyl 5-methoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 67297394
methyl 5-ethoxy-2,4-dioxo-1H-pyrimidine-6-carboxylate
CID 69843297
2-[(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
CID 151161961

Frequently Asked Questions

What is the IUPAC name of (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate?
The IUPAC name of (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate (CID 14341509) is (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate.
What is the SMILES notation for (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate?
The canonical SMILES for (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate is CC(=O)Oc1c(C)[nH]c(=O)[nH]c1=O.
What is the InChIKey of (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate?
The InChIKey is PAPNVSLHAZOKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4/c1-3-5(13-4(2)10)6(11)9-7(12)8-3/h1-2H3,(H2,8,9,11,12).
What are the key properties of (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate?
(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate has a molecular weight of 184.15 g/mol, XLogP of -0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2,4-dioxo-1H-pyrimidin-5-yl) acetate is sourced from PubChem (CID 14341509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).