5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid

C8H9N3O5 — CID 91081245

IUPAC5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid
SMILESCOc1nc(CN=O)nc(C(=O)O)c1OC
InChIInChI=1S/C8H9N3O5/c1-15-6-5(8(12)13)10-4(3-9-14)11-7(6)16-2/h3H2,1-2H3,(H,12,13)
InChIKeyYDKTZYXENFUSHA-UHFFFAOYSA-N
MW227.18 g/mol
LogP0.46
Rot. Bonds5

About 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid

5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid (PubChem CID 91081245) has the molecular formula C8H9N3O5 and a molecular weight of 227.18 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid
PubChem CID91081245
Molecular FormulaC8H9N3O5
Molecular Weight227.18 g/mol
Exact Mass227.05
IUPAC Name5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid
SMILESCOc1nc(CN=O)nc(C(=O)O)c1OC
InChIInChI=1S/C8H9N3O5/c1-15-6-5(8(12)13)10-4(3-9-14)11-7(6)16-2/h3H2,1-2H3,(H,12,13)
InChIKeyYDKTZYXENFUSHA-UHFFFAOYSA-N
XLogP0.46
TPSA110.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.18
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid (CID 91081245) is 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid is COc1nc(CN=O)nc(C(=O)O)c1OC.
What is the InChIKey of 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid?
The InChIKey is YDKTZYXENFUSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O5/c1-15-6-5(8(12)13)10-4(3-9-14)11-7(6)16-2/h3H2,1-2H3,(H,12,13).
What are the key properties of 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid?
5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid has a molecular weight of 227.18 g/mol, XLogP of 0.46, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(nitrosomethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 91081245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).