2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid

C8H10N2O3 — CID 20982076

IUPAC2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O3/c1-4-6(7(11)12)5(2)10-8(9-4)13-3/h1-3H3,(H,11,12)
InChIKeySHMZNFNWKYQOFV-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.80
Rot. Bonds2

About 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid

2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 20982076) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID20982076
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)c(C(=O)O)c(C)n1
InChIInChI=1S/C8H10N2O3/c1-4-6(7(11)12)5(2)10-8(9-4)13-3/h1-3H3,(H,11,12)
InChIKeySHMZNFNWKYQOFV-UHFFFAOYSA-N
XLogP0.80
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid (CID 20982076) is 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid is COc1nc(C)c(C(=O)O)c(C)n1.
What is the InChIKey of 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is SHMZNFNWKYQOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-6(7(11)12)5(2)10-8(9-4)13-3/h1-3H3,(H,11,12).
What are the key properties of 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid?
2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 20982076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).