N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide

C8H8F3N3O — CID 174741917

IUPACN-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide
SMILESCc1nc(C)c(NC=O)c(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-4-6(12-3-15)7(8(9,10)11)14-5(2)13-4/h3H,1-2H3,(H,12,15)
InChIKeyAFDSXZYTNGELHJ-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.68
Rot. Bonds2

About N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide

N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide (PubChem CID 174741917) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide.

Molecular Properties

Compound NameN-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide
PubChem CID174741917
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC NameN-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide
SMILESCc1nc(C)c(NC=O)c(C(F)(F)F)n1
InChIInChI=1S/C8H8F3N3O/c1-4-6(12-3-15)7(8(9,10)11)14-5(2)13-4/h3H,1-2H3,(H,12,15)
InChIKeyAFDSXZYTNGELHJ-UHFFFAOYSA-N
XLogP1.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide?
The IUPAC name of N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide (CID 174741917) is N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide.
What is the SMILES notation for N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide?
The canonical SMILES for N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide is Cc1nc(C)c(NC=O)c(C(F)(F)F)n1.
What is the InChIKey of N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide?
The InChIKey is AFDSXZYTNGELHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c1-4-6(12-3-15)7(8(9,10)11)14-5(2)13-4/h3H,1-2H3,(H,12,15).
What are the key properties of N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide?
N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide has a molecular weight of 219.17 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dimethyl-6-(trifluoromethyl)pyrimidin-5-yl]formamide is sourced from PubChem (CID 174741917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).