6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

C11H14F3N3O2 — CID 151260283

IUPAC6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCc1c(CN(C)C)nc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-4-6-7(5-17(2)3)15-10(11(12,13)14)16-8(6)9(18)19/h4-5H2,1-3H3,(H,18,19)
InChIKeyNUEZJIMRUNVLTN-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.82
Rot. Bonds4

About 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid

6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (PubChem CID 151260283) has the molecular formula C11H14F3N3O2 and a molecular weight of 277.25 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
PubChem CID151260283
Molecular FormulaC11H14F3N3O2
Molecular Weight277.25 g/mol
Exact Mass277.10
IUPAC Name6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
SMILESCCc1c(CN(C)C)nc(C(F)(F)F)nc1C(=O)O
InChIInChI=1S/C11H14F3N3O2/c1-4-6-7(5-17(2)3)15-10(11(12,13)14)16-8(6)9(18)19/h4-5H2,1-3H3,(H,18,19)
InChIKeyNUEZJIMRUNVLTN-UHFFFAOYSA-N
XLogP1.82
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid (CID 151260283) is 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is CCc1c(CN(C)C)nc(C(F)(F)F)nc1C(=O)O.
What is the InChIKey of 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
The InChIKey is NUEZJIMRUNVLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N3O2/c1-4-6-7(5-17(2)3)15-10(11(12,13)14)16-8(6)9(18)19/h4-5H2,1-3H3,(H,18,19).
What are the key properties of 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid?
6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid has a molecular weight of 277.25 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-5-ethyl-2-(trifluoromethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 151260283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).