4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid

C8H8F2N2O2 — CID 130610720

IUPAC4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C(F)F)n1
InChIInChI=1S/C8H8F2N2O2/c1-3-5(8(13)14)6(7(9)10)12-4(2)11-3/h7H,1-2H3,(H,13,14)
InChIKeySLEAFYZWVQXKJK-UHFFFAOYSA-N
MW202.16 g/mol
LogP1.73
Rot. Bonds2

About 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid

4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 130610720) has the molecular formula C8H8F2N2O2 and a molecular weight of 202.16 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID130610720
Molecular FormulaC8H8F2N2O2
Molecular Weight202.16 g/mol
Exact Mass202.06
IUPAC Name4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(C(F)F)n1
InChIInChI=1S/C8H8F2N2O2/c1-3-5(8(13)14)6(7(9)10)12-4(2)11-3/h7H,1-2H3,(H,13,14)
InChIKeySLEAFYZWVQXKJK-UHFFFAOYSA-N
XLogP1.73
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid (CID 130610720) is 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is SLEAFYZWVQXKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2O2/c1-3-5(8(13)14)6(7(9)10)12-4(2)11-3/h7H,1-2H3,(H,13,14).
What are the key properties of 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 202.16 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 130610720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).