6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione

C12H9Cl2F3N4O2 — CID 2768895

IUPAC6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9Cl2F3N4O2/c13-7-3-6(12(15,16)17)5-19-10(7)18-1-2-21-9(22)4-8(14)20-11(21)23/h3-5H,1-2H2,(H,18,19)(H,20,23)
InChIKeyLFEMUYWTNMTIJK-UHFFFAOYSA-N
MW369.13 g/mol
LogP2.37
Rot. Bonds4

About 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione

6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 2768895) has the molecular formula C12H9Cl2F3N4O2 and a molecular weight of 369.13 g/mol. Its IUPAC name is 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione
PubChem CID2768895
Molecular FormulaC12H9Cl2F3N4O2
Molecular Weight369.13 g/mol
Exact Mass368.01
IUPAC Name6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione
SMILESO=c1cc(Cl)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C12H9Cl2F3N4O2/c13-7-3-6(12(15,16)17)5-19-10(7)18-1-2-21-9(22)4-8(14)20-11(21)23/h3-5H,1-2H2,(H,18,19)(H,20,23)
InChIKeyLFEMUYWTNMTIJK-UHFFFAOYSA-N
XLogP2.37
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.13
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)-1,4-diazepane
CID 735734
1-(5-Chloropyridin-2-yl)-3-[2-(2,6-difluorophenyl)ethyl]urea
CID 469199
1-(2-{[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4-dioxo-1,2,3,4-tetrahydro-5-pyrimidinecarbonitrile
CID 1473895
5-acetyl-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4(1H,3H)-pyrimidinedione
CID 4309245
1-(3-Chloro-5-(trifluoromethyl)pyridin-2-yl)piperazine
CID 667619
2-Chloro-1-(4-(3-chloro-5-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)ethan-1-one
CID 735808
N-(5-chloro-2-pyridinyl)-3-phenylacrylamide
CID 691131
3,6-dichloro-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2(1H)-quinoxalinone
CID 1471937
2-{4-[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]piperazino}-2-methylpropanamide
CID 1478431
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-1H-pyrrole-2,5-dione
CID 1486292
1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-5-[(dimethylamino)methylene]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2767259
5-(4-chlorobenzyl)-1-(2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}ethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2768926

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione (CID 2768895) is 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione is O=c1cc(Cl)[nH]c(=O)n1CCNc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is LFEMUYWTNMTIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2F3N4O2/c13-7-3-6(12(15,16)17)5-19-10(7)18-1-2-21-9(22)4-8(14)20-11(21)23/h3-5H,1-2H2,(H,18,19)(H,20,23).
What are the key properties of 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione?
6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 369.13 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 2768895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).