2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one

C7H5ClF3N3O — CID 139907515

IUPAC2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(N)nc(C(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C7H5ClF3N3O/c1-2-14-5(15)3(8)4(7(9,10)11)13-6(14)12/h2H,1H2,(H2,12,13)
InChIKeyBNPSEFTZNFHEQW-UHFFFAOYSA-N
MW239.58 g/mol
LogP1.60
Rot. Bonds1

About 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one

2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one (PubChem CID 139907515) has the molecular formula C7H5ClF3N3O and a molecular weight of 239.58 g/mol. Its IUPAC name is 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
PubChem CID139907515
Molecular FormulaC7H5ClF3N3O
Molecular Weight239.58 g/mol
Exact Mass239.01
IUPAC Name2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one
SMILESC=Cn1c(N)nc(C(F)(F)F)c(Cl)c1=O
InChIInChI=1S/C7H5ClF3N3O/c1-2-14-5(15)3(8)4(7(9,10)11)13-6(14)12/h2H,1H2,(H2,12,13)
InChIKeyBNPSEFTZNFHEQW-UHFFFAOYSA-N
XLogP1.60
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.58
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The IUPAC name of 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one (CID 139907515) is 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one is C=Cn1c(N)nc(C(F)(F)F)c(Cl)c1=O.
What is the InChIKey of 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
The InChIKey is BNPSEFTZNFHEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3N3O/c1-2-14-5(15)3(8)4(7(9,10)11)13-6(14)12/h2H,1H2,(H2,12,13).
What are the key properties of 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one?
2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one has a molecular weight of 239.58 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-ethenyl-6-(trifluoromethyl)pyrimidin-4-one is sourced from PubChem (CID 139907515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).