methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

C10H11N3O4 — CID 14268718

IUPACmethyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2[nH]1
InChIInChI=1S/C10H11N3O4/c1-12-7-5(8(14)13(2)10(12)16)4-6(11-7)9(15)17-3/h4,11H,1-3H3
InChIKeyYIVKAWYINYLRMS-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.65
Rot. Bonds1

About methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate

methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (PubChem CID 14268718) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
PubChem CID14268718
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Namemethyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate
SMILESCOC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2[nH]1
InChIInChI=1S/C10H11N3O4/c1-12-7-5(8(14)13(2)10(12)16)4-6(11-7)9(15)17-3/h4,11H,1-3H3
InChIKeyYIVKAWYINYLRMS-UHFFFAOYSA-N
XLogP-0.65
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The IUPAC name of methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate (CID 14268718) is methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate.
What is the SMILES notation for methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The canonical SMILES for methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate is COC(=O)c1cc2c(=O)n(C)c(=O)n(C)c2[nH]1.
What is the InChIKey of methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
The InChIKey is YIVKAWYINYLRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-12-7-5(8(14)13(2)10(12)16)4-6(11-7)9(15)17-3/h4,11H,1-3H3.
What are the key properties of methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate?
methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate has a molecular weight of 237.21 g/mol, XLogP of -0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dimethyl-2,4-dioxo-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 14268718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).