4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide

C10H9BrF3N3O — CID 123920124

IUPAC4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
SMILESCN(C(=O)c1nccc(Br)n1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H9BrF3N3O/c1-17(9(3-4-9)10(12,13)14)8(18)7-15-5-2-6(11)16-7/h2,5H,3-4H2,1H3
InChIKeySSLNOGJHPMFHQW-UHFFFAOYSA-N
MW324.10 g/mol
LogP2.41
Rot. Bonds2

About 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide

4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide (PubChem CID 123920124) has the molecular formula C10H9BrF3N3O and a molecular weight of 324.10 g/mol. Its IUPAC name is 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
PubChem CID123920124
Molecular FormulaC10H9BrF3N3O
Molecular Weight324.10 g/mol
Exact Mass322.99
IUPAC Name4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
SMILESCN(C(=O)c1nccc(Br)n1)C1(C(F)(F)F)CC1
InChIInChI=1S/C10H9BrF3N3O/c1-17(9(3-4-9)10(12,13)14)8(18)7-15-5-2-6(11)16-7/h2,5H,3-4H2,1H3
InChIKeySSLNOGJHPMFHQW-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The IUPAC name of 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide (CID 123920124) is 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The canonical SMILES for 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide is CN(C(=O)c1nccc(Br)n1)C1(C(F)(F)F)CC1.
What is the InChIKey of 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The InChIKey is SSLNOGJHPMFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3N3O/c1-17(9(3-4-9)10(12,13)14)8(18)7-15-5-2-6(11)16-7/h2,5H,3-4H2,1H3.
What are the key properties of 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide has a molecular weight of 324.10 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 123920124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).