4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

C10H10BrF3N4O — CID 168660952

IUPAC4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncc(Br)c(C(F)(F)F)n2)C1
InChIInChI=1S/C10H10BrF3N4O/c11-6-3-16-9(17-8(6)10(12,13)14)18-4-5(2-15)1-7(18)19/h3,5H,1-2,4,15H2
InChIKeyCVJBRWFNRMTJBI-UHFFFAOYSA-N
MW339.12 g/mol
LogP1.57
Rot. Bonds2

About 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one

4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (PubChem CID 168660952) has the molecular formula C10H10BrF3N4O and a molecular weight of 339.12 g/mol. Its IUPAC name is 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
PubChem CID168660952
Molecular FormulaC10H10BrF3N4O
Molecular Weight339.12 g/mol
Exact Mass338.00
IUPAC Name4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one
SMILESNCC1CC(=O)N(c2ncc(Br)c(C(F)(F)F)n2)C1
InChIInChI=1S/C10H10BrF3N4O/c11-6-3-16-9(17-8(6)10(12,13)14)18-4-5(2-15)1-7(18)19/h3,5H,1-2,4,15H2
InChIKeyCVJBRWFNRMTJBI-UHFFFAOYSA-N
XLogP1.57
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.12
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686153
4-(aminomethyl)-1-(5-bromo-3,4-dimethyl-2-pyridinyl)pyrrolidin-2-one
CID 168659711
4-(aminomethyl)-1-(3-bromo-5-fluoro-2-pyridinyl)pyrrolidin-2-one
CID 168660978
[1-(5-bromo-4-chloropyrimidin-2-yl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677345
4-(azidomethyl)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-one
CID 168657860
4-(aminomethyl)-1-(4-bromo-2-fluoro-5-methylphenyl)pyrrolidin-2-one
CID 168659759
4-(aminomethyl)-1-(5-bromo-2-chloro-3-pyridinyl)pyrrolidin-2-one
CID 168661090
4-(aminomethyl)-1-(5-bromo-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659739
1-(5-bromoquinazolin-2-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168509672
4-(aminomethyl)-1-[2-bromo-4-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168660842
4-(aminomethyl)-1-[2-bromo-5-(trifluoromethoxy)phenyl]pyrrolidin-2-one
CID 168660614
4-(aminomethyl)-1-[4-(furan-2-yl)pyrimidin-2-yl]pyrrolidin-2-one
CID 168661436

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one (CID 168660952) is 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is NCC1CC(=O)N(c2ncc(Br)c(C(F)(F)F)n2)C1.
What is the InChIKey of 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
The InChIKey is CVJBRWFNRMTJBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N4O/c11-6-3-16-9(17-8(6)10(12,13)14)18-4-5(2-15)1-7(18)19/h3,5H,1-2,4,15H2.
What are the key properties of 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one?
4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one has a molecular weight of 339.12 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168660952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).