1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C24H15Cl4F6N5O4 — CID 161085241

IUPAC1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESNn1c(C(F)(F)F)cc(=O)n(Cc2cccc(Cl)c2Cl)c1=O.O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2F3N3O2.C12H7Cl2F3N2O2/c13-7-3-1-2-6(10(7)14)5-19-9(21)4-8(12(15,16)17)20(18)11(19)22;13-7-3-1-2-6(10(7)14)5-19-9(20)4-8(12(15,16)17)18-11(19)21/h1-4H,5,18H2;1-4H,5H2,(H,18,21)
InChIKeyUGKNUTUFLLGSKO-UHFFFAOYSA-N
MW693.22 g/mol
LogP5.01
Rot. Bonds4

About 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 161085241) has the molecular formula C24H15Cl4F6N5O4 and a molecular weight of 693.22 g/mol. Its IUPAC name is 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID161085241
Molecular FormulaC24H15Cl4F6N5O4
Molecular Weight693.22 g/mol
Exact Mass690.98
IUPAC Name1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESNn1c(C(F)(F)F)cc(=O)n(Cc2cccc(Cl)c2Cl)c1=O.O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cccc(Cl)c1Cl
InChIInChI=1S/C12H8Cl2F3N3O2.C12H7Cl2F3N2O2/c13-7-3-1-2-6(10(7)14)5-19-9(21)4-8(12(15,16)17)20(18)11(19)22;13-7-3-1-2-6(10(7)14)5-19-9(20)4-8(12(15,16)17)18-11(19)21/h1-4H,5,18H2;1-4H,5H2,(H,18,21)
InChIKeyUGKNUTUFLLGSKO-UHFFFAOYSA-N
XLogP5.01
TPSA124.88 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500693.22
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 15346044
1-Amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 15346045
5-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 67641815
3-[(2,3-Dichlorophenyl)methyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 141914181
1,2-dichloro-3-(isocyanatomethyl)benzene;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione;ethyl (Z)-3-amino-4,4,4-trifluorobut-2-enoate
CID 158632026
3-[(3,4-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 134114704

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 161085241) is 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is Nn1c(C(F)(F)F)cc(=O)n(Cc2cccc(Cl)c2Cl)c1=O.O=c1cc(C(F)(F)F)[nH]c(=O)n1Cc1cccc(Cl)c1Cl.
What is the InChIKey of 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UGKNUTUFLLGSKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F3N3O2.C12H7Cl2F3N2O2/c13-7-3-1-2-6(10(7)14)5-19-9(21)4-8(12(15,16)17)20(18)11(19)22;13-7-3-1-2-6(10(7)14)5-19-9(20)4-8(12(15,16)17)18-11(19)21/h1-4H,5,18H2;1-4H,5H2,(H,18,21).
What are the key properties of 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 693.22 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-dione;3-[(2,3-dichlorophenyl)methyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 161085241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).