1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione

C19H19ClF3N5O2 — CID 76821366

IUPAC1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(Nc2cccc(C(F)(F)F)c2)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C19H19ClF3N5O2/c1-11(2)28-17(29)26-16(25-14-5-3-4-12(8-14)19(21,22)23)27(18(28)30)10-15-7-6-13(20)9-24-15/h3-9,11,16,25H,10H2,1-2H3,(H,26,29)
InChIKeyATNVFTAPTQBXLE-UHFFFAOYSA-N
MW441.84 g/mol
LogP4.51
Rot. Bonds5

About 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione

1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione (PubChem CID 76821366) has the molecular formula C19H19ClF3N5O2 and a molecular weight of 441.84 g/mol. Its IUPAC name is 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione.

Molecular Properties

Compound Name1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
PubChem CID76821366
Molecular FormulaC19H19ClF3N5O2
Molecular Weight441.84 g/mol
Exact Mass441.12
IUPAC Name1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione
SMILESCC(C)N1C(=O)NC(Nc2cccc(C(F)(F)F)c2)N(Cc2ccc(Cl)cn2)C1=O
InChIInChI=1S/C19H19ClF3N5O2/c1-11(2)28-17(29)26-16(25-14-5-3-4-12(8-14)19(21,22)23)27(18(28)30)10-15-7-6-13(20)9-24-15/h3-9,11,16,25H,10H2,1-2H3,(H,26,29)
InChIKeyATNVFTAPTQBXLE-UHFFFAOYSA-N
XLogP4.51
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-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

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
The IUPAC name of 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione (CID 76821366) is 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione.
What is the SMILES notation for 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
The canonical SMILES for 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione is CC(C)N1C(=O)NC(Nc2cccc(C(F)(F)F)c2)N(Cc2ccc(Cl)cn2)C1=O.
What is the InChIKey of 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
The InChIKey is ATNVFTAPTQBXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClF3N5O2/c1-11(2)28-17(29)26-16(25-14-5-3-4-12(8-14)19(21,22)23)27(18(28)30)10-15-7-6-13(20)9-24-15/h3-9,11,16,25H,10H2,1-2H3,(H,26,29).
What are the key properties of 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione?
1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione has a molecular weight of 441.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-2-pyridinyl)methyl]-3-propan-2-yl-6-[3-(trifluoromethyl)anilino]-1,3,5-triazinane-2,4-dione is sourced from PubChem (CID 76821366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).