methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate

C8H10N2O4 — CID 557715

IUPACmethyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H10N2O4/c1-9-5(7(12)14-3)4-6(11)10(2)8(9)13/h4H,1-3H3
InChIKeyAOYTXGXDYJBNTJ-UHFFFAOYSA-N
MW198.18 g/mol
LogP-1.13
Rot. Bonds1

About methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate

methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate (PubChem CID 557715) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate
PubChem CID557715
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Namemethyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C8H10N2O4/c1-9-5(7(12)14-3)4-6(11)10(2)8(9)13/h4H,1-3H3
InChIKeyAOYTXGXDYJBNTJ-UHFFFAOYSA-N
XLogP-1.13
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-1.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1,2,3,6-tetrahydro-2,6-dioxo-4-pyrimidinecarboxylate
CID 80257
1,3-Dimethylorotic acid
CID 5025211
(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)methyl acetate
CID 2843129
Methyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 14028158
Dimethyl 2-((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)fumarate
CID 12285744
2-Butenedioic acid,4-dioxopyrimidin-1-yl]-, diethyl ester, cis-
CID 5468905
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-
CID 5469884
diethyl (E)-2-(5-iodo-2,4-dioxo-3-prop-2-ynylpyrimidin-1-yl)but-2-enedioate
CID 5470765
2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
CID 71299799
(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
CID 12472438
Ethyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 130005141
Ethyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
CID 362785

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate (CID 557715) is methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate is COC(=O)c1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate?
The InChIKey is AOYTXGXDYJBNTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-9-5(7(12)14-3)4-6(11)10(2)8(9)13/h4H,1-3H3.
What are the key properties of methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate?
methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -1.13, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-2,6-dioxopyrimidine-4-carboxylate is sourced from PubChem (CID 557715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).