5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide

C10H9BrF3N3O — CID 70979702

IUPAC5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide
SMILESCC1C(F)(F)C1(F)N(C)C(=O)c1ncc(Br)cn1
InChIInChI=1S/C10H9BrF3N3O/c1-5-9(12,13)10(5,14)17(2)8(18)7-15-3-6(11)4-16-7/h3-5H,1-2H3
InChIKeyZIBVAKXOBFQNLI-UHFFFAOYSA-N
MW324.10 g/mol
LogP2.26
Rot. Bonds2

About 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide

5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide (PubChem CID 70979702) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide
PubChem CID70979702
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide
SMILESCC1C(F)(F)C1(F)N(C)C(=O)c1ncc(Br)cn1
InChIInChI=1S/C10H9BrF3N3O/c1-5-9(12,13)10(5,14)17(2)8(18)7-15-3-6(11)4-16-7/h3-5H,1-2H3
InChIKeyZIBVAKXOBFQNLI-UHFFFAOYSA-N
XLogP2.26
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.10
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide (CID 70979702) is 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide is CC1C(F)(F)C1(F)N(C)C(=O)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide?
The InChIKey is ZIBVAKXOBFQNLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c1-5-9(12,13)10(5,14)17(2)8(18)7-15-3-6(11)4-16-7/h3-5H,1-2H3.
What are the key properties of 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide?
5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide has a molecular weight of 324.10 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-N-(1,2,2-trifluoro-3-methylcyclopropyl)pyrimidine-2-carboxamide is sourced from PubChem (CID 70979702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).