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

C9H7BrF3N3O — CID 70935267

IUPAC5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ncc(Br)cn1
InChIInChI=1S/C9H7BrF3N3O/c10-5-3-14-6(15-4-5)7(17)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,16,17)
InChIKeyNYKZGVDCFWFPRC-UHFFFAOYSA-N
MW310.07 g/mol
LogP2.06
Rot. Bonds2

About 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide

5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide (PubChem CID 70935267) has the molecular formula C9H7BrF3N3O and a molecular weight of 310.07 g/mol. Its IUPAC name is 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
PubChem CID70935267
Molecular FormulaC9H7BrF3N3O
Molecular Weight310.07 g/mol
Exact Mass308.97
IUPAC Name5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide
SMILESO=C(NC1(C(F)(F)F)CC1)c1ncc(Br)cn1
InChIInChI=1S/C9H7BrF3N3O/c10-5-3-14-6(15-4-5)7(17)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,16,17)
InChIKeyNYKZGVDCFWFPRC-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-6-methyl-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218219
1-amino-N-[1-(trifluoromethyl)cyclopropyl]isoquinoline-4-carboxamide
CID 106218185
4-bromo-3-(trifluoromethyl)-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 103808061
6-(ethylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218176
6-amino-N-[1-(trifluoromethyl)cyclopropyl]pyrazine-2-carboxamide
CID 114159661
4-chloro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106211259
2-bromo-5-iodo-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106547554
6-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2-carboxamide
CID 106218147
2-(methylamino)-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218163
3,6-dichloro-N-[1-(trifluoromethyl)cyclopropyl]pyridazine-4-carboxamide
CID 106211269
5-amino-2,4-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208292
2-(ethylamino)-5-fluoro-N-[1-(trifluoromethyl)cyclopropyl]pyridine-3-carboxamide
CID 106218206

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide (CID 70935267) is 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide is O=C(NC1(C(F)(F)F)CC1)c1ncc(Br)cn1.
What is the InChIKey of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
The InChIKey is NYKZGVDCFWFPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrF3N3O/c10-5-3-14-6(15-4-5)7(17)16-8(1-2-8)9(11,12)13/h3-4H,1-2H2,(H,16,17).
What are the key properties of 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide?
5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide has a molecular weight of 310.07 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(trifluoromethyl)cyclopropyl]pyrimidine-2-carboxamide is sourced from PubChem (CID 70935267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).