4-methoxy-2-methylpyrimidine-5-carboxylic acid

C7H8N2O3 — CID 12828958

IUPAC4-methoxy-2-methylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)ncc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-4-8-3-5(7(10)11)6(9-4)12-2/h3H,1-2H3,(H,10,11)
InChIKeyBZKLIDDLMRGFMZ-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.49
Rot. Bonds2

About 4-methoxy-2-methylpyrimidine-5-carboxylic acid

4-methoxy-2-methylpyrimidine-5-carboxylic acid (PubChem CID 12828958) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is 4-methoxy-2-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-methoxy-2-methylpyrimidine-5-carboxylic acid
PubChem CID12828958
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name4-methoxy-2-methylpyrimidine-5-carboxylic acid
SMILESCOc1nc(C)ncc1C(=O)O
InChIInChI=1S/C7H8N2O3/c1-4-8-3-5(7(10)11)6(9-4)12-2/h3H,1-2H3,(H,10,11)
InChIKeyBZKLIDDLMRGFMZ-UHFFFAOYSA-N
XLogP0.49
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-Dimethoxypyrimidine-5-carboxylic acid
CID 19070667
4-Methoxypyrimidine-5-carbaldehyde
CID 19875763
Ethyl 4-ethoxy-2-methylpyrimidine-5-carboxylate
CID 12318268
2,4-Dimethoxypyrimidine-5-carbaldehyde
CID 597782
Ethyl 4-ethoxypyrimidine-5-carboxylate
CID 16637777
4-Ethoxy-2-trifluoromethyl-pyrimidine-5-carboxylic acid ethyl ester
CID 68580627
4-Methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83890413
4-Ethoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 83896941
Ethyl-4-methoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 85989917
4-Prop-2-enoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 85989922
4-Octoxy-2-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 85989923
Ethyl 4-prop-2-enoxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 139998571

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-methoxy-2-methylpyrimidine-5-carboxylic acid (CID 12828958) is 4-methoxy-2-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-methoxy-2-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-methoxy-2-methylpyrimidine-5-carboxylic acid is COc1nc(C)ncc1C(=O)O.
What is the InChIKey of 4-methoxy-2-methylpyrimidine-5-carboxylic acid?
The InChIKey is BZKLIDDLMRGFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-4-8-3-5(7(10)11)6(9-4)12-2/h3H,1-2H3,(H,10,11).
What are the key properties of 4-methoxy-2-methylpyrimidine-5-carboxylic acid?
4-methoxy-2-methylpyrimidine-5-carboxylic acid has a molecular weight of 168.15 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 12828958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).