1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid

C10H11N3O4 — CID 29079012

IUPAC1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(=O)c2cc(C(=O)O)n(C)c2n(C)c1=O
InChIInChI=1S/C10H11N3O4/c1-11-6(9(15)16)4-5-7(11)12(2)10(17)13(3)8(5)14/h4H,1-3H3,(H,15,16)
InChIKeyCHYABWIHAJLDBS-UHFFFAOYSA-N
MW237.22 g/mol
LogP-0.73
Rot. Bonds1

About 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid

1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid (PubChem CID 29079012) has the molecular formula C10H11N3O4 and a molecular weight of 237.22 g/mol. Its IUPAC name is 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid
PubChem CID29079012
Molecular FormulaC10H11N3O4
Molecular Weight237.22 g/mol
Exact Mass237.07
IUPAC Name1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid
SMILESCn1c(=O)c2cc(C(=O)O)n(C)c2n(C)c1=O
InChIInChI=1S/C10H11N3O4/c1-11-6(9(15)16)4-5-7(11)12(2)10(17)13(3)8(5)14/h4H,1-3H3,(H,15,16)
InChIKeyCHYABWIHAJLDBS-UHFFFAOYSA-N
XLogP-0.73
TPSA86.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The IUPAC name of 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid (CID 29079012) is 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The canonical SMILES for 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid is Cn1c(=O)c2cc(C(=O)O)n(C)c2n(C)c1=O.
What is the InChIKey of 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
The InChIKey is CHYABWIHAJLDBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c1-11-6(9(15)16)4-5-7(11)12(2)10(17)13(3)8(5)14/h4H,1-3H3,(H,15,16).
What are the key properties of 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid?
1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid has a molecular weight of 237.22 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 29079012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).