4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid

C7H9N3O4 — CID 34177555

IUPAC4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid
SMILESCn1c(N)c(C(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C7H9N3O4/c1-9-4(8)3(6(12)13)5(11)10(2)7(9)14/h8H2,1-2H3,(H,12,13)
InChIKeyWZBHFRUOUYYDML-UHFFFAOYSA-N
MW199.17 g/mol
LogP-1.64
Rot. Bonds1

About 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid

4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid (PubChem CID 34177555) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid
PubChem CID34177555
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid
SMILESCn1c(N)c(C(=O)O)c(=O)n(C)c1=O
InChIInChI=1S/C7H9N3O4/c1-9-4(8)3(6(12)13)5(11)10(2)7(9)14/h8H2,1-2H3,(H,12,13)
InChIKeyWZBHFRUOUYYDML-UHFFFAOYSA-N
XLogP-1.64
TPSA107.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid (CID 34177555) is 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid is Cn1c(N)c(C(=O)O)c(=O)n(C)c1=O.
What is the InChIKey of 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
The InChIKey is WZBHFRUOUYYDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-9-4(8)3(6(12)13)5(11)10(2)7(9)14/h8H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid?
4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid has a molecular weight of 199.17 g/mol, XLogP of -1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1,3-dimethyl-2,6-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 34177555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).