ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate

C8H10N2O4 — CID 130005141

IUPACethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-6(11)10(2)8(13)9-5/h4H,3H2,1-2H3,(H,9,13)
InChIKeyRGPHOWUWSWZTSK-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.75
Rot. Bonds2

About ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate

ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 130005141) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID130005141
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cc(=O)n(C)c(=O)[nH]1
InChIInChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-6(11)10(2)8(13)9-5/h4H,3H2,1-2H3,(H,9,13)
InChIKeyRGPHOWUWSWZTSK-UHFFFAOYSA-N
XLogP-0.75
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 90856246
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ethyl 4-chloro-5-methyl-1H-pyrrole-2-carboxylate
CID 66707189
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
ethyl 5-methyl-4,6-dioxo-1H-1,3,5-triazine-2-carboxylate
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ethyl 6-(hydroxymethyl)-4-oxo-1H-pyridine-2-carboxylate
CID 119084800
diethyl 7-thia-3,11-diazatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraene-4,10-dicarboxylate
CID 11558576
diethyl 5-ethyl-1H-pyrrole-2,4-dicarboxylate
CID 121015696
ethyl 4,7-dioxo-1H-indole-2-carboxylate
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ethyl 2-ethylsulfonyl-1-methyl-4H-pyrrolo[2,3-d]imidazole-5-carboxylate
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CID 134684512

Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 130005141) is ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate is CCOC(=O)c1cc(=O)n(C)c(=O)[nH]1.
What is the InChIKey of ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is RGPHOWUWSWZTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-6(11)10(2)8(13)9-5/h4H,3H2,1-2H3,(H,9,13).
What are the key properties of ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate?
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 130005141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).