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

C9H12N2O4 — CID 10751009

IUPACpropan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCC(C)OC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-5(2)15-8(13)4-6-3-7(12)11-9(14)10-6/h3,5H,4H2,1-2H3,(H2,10,11,12,14)
InChIKeyNREMAUBMHYEVPQ-UHFFFAOYSA-N
MW212.20 g/mol
LogP-0.44
Rot. Bonds3

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

propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (PubChem CID 10751009) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
PubChem CID10751009
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Namepropan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate
SMILESCC(C)OC(=O)Cc1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C9H12N2O4/c1-5(2)15-8(13)4-6-3-7(12)11-9(14)10-6/h3,5H,4H2,1-2H3,(H2,10,11,12,14)
InChIKeyNREMAUBMHYEVPQ-UHFFFAOYSA-N
XLogP-0.44
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[6-oxo-4-[(E)-2-phenylethenyl]-1H-pyridin-2-yl]acetate
CID 70093797
1-O-[2-(2,4-dioxo-1H-pyrimidin-6-yl)ethyl] 4-O-propan-2-yl (E)-but-2-enedioate
CID 122607108
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-methyl-2-propan-2-ylbutyl)acetamide
CID 102915109
(2S)-2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63307202
2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-(3-hydroxy-2-methylpropyl)acetamide
CID 65037150
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]-methylamino]-2-methylpropanoic acid
CID 55008446
methyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-6-yl)acetate
CID 7063826
N-benzyl-2-(2,4-dioxo-1H-pyrimidin-6-yl)-N-propan-2-ylacetamide
CID 110700056
N-(4-acetamidophenyl)-2-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 110700119
6-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 58482877
3-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2,2-dimethylpropanoic acid
CID 115427228
6-[2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 102785227

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The IUPAC name of propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate (CID 10751009) is propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The canonical SMILES for propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is CC(C)OC(=O)Cc1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
The InChIKey is NREMAUBMHYEVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-5(2)15-8(13)4-6-3-7(12)11-9(14)10-6/h3,5H,4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate?
propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate has a molecular weight of 212.20 g/mol, XLogP of -0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(2,4-dioxo-1H-pyrimidin-6-yl)acetate is sourced from PubChem (CID 10751009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).