4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid

C10H11F3N2O2 — CID 79964412

IUPAC4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(CCC(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-5-8(9(16)17)6(2)15-7(14-5)3-4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyOHNVMIFQVVODFB-UHFFFAOYSA-N
MW248.20 g/mol
LogP2.29
Rot. Bonds3

About 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid

4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid (PubChem CID 79964412) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
PubChem CID79964412
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Name4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid
SMILESCc1nc(CCC(F)(F)F)nc(C)c1C(=O)O
InChIInChI=1S/C10H11F3N2O2/c1-5-8(9(16)17)6(2)15-7(14-5)3-4-10(11,12)13/h3-4H2,1-2H3,(H,16,17)
InChIKeyOHNVMIFQVVODFB-UHFFFAOYSA-N
XLogP2.29
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid (CID 79964412) is 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid is Cc1nc(CCC(F)(F)F)nc(C)c1C(=O)O.
What is the InChIKey of 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid?
The InChIKey is OHNVMIFQVVODFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-5-8(9(16)17)6(2)15-7(14-5)3-4-10(11,12)13/h3-4H2,1-2H3,(H,16,17).
What are the key properties of 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid?
4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid has a molecular weight of 248.20 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3,3,3-trifluoropropyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 79964412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).