[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone

C16H13Cl2F3N4O2 — CID 69037183

IUPAC[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone
SMILESO=C(c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F)C1CNCCO1
InChIInChI=1S/C16H13Cl2F3N4O2/c17-8-3-9(18)5-10(4-8)24-15-23-6-11(14(25-15)16(19,20)21)13(26)12-7-22-1-2-27-12/h3-6,12,22H,1-2,7H2,(H,23,24,25)
InChIKeyIOZNDRIQSVAMAX-UHFFFAOYSA-N
MW421.21 g/mol
LogP3.72
Rot. Bonds4

About [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone

[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone (PubChem CID 69037183) has the molecular formula C16H13Cl2F3N4O2 and a molecular weight of 421.21 g/mol. Its IUPAC name is [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone.

Molecular Properties

Compound Name[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone
PubChem CID69037183
Molecular FormulaC16H13Cl2F3N4O2
Molecular Weight421.21 g/mol
Exact Mass420.04
IUPAC Name[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone
SMILESO=C(c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F)C1CNCCO1
InChIInChI=1S/C16H13Cl2F3N4O2/c17-8-3-9(18)5-10(4-8)24-15-23-6-11(14(25-15)16(19,20)21)13(26)12-7-22-1-2-27-12/h3-6,12,22H,1-2,7H2,(H,23,24,25)
InChIKeyIOZNDRIQSVAMAX-UHFFFAOYSA-N
XLogP3.72
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.21
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone 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

2-(3,5-dichloroanilino)-N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10094871
(4,6-dichloroquinolin-3-yl)-morpholin-2-ylmethanone
CID 175592769
[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl] N-(oxan-4-ylmethyl)carbamate
CID 68619483
2-(3,5-dichloroanilino)-N-[(2-fluoro-4-pyridinyl)methyl]-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10344217
N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]morpholine-2-carboxamide;dihydrochloride
CID 119893791
2-(3-chloro-4-fluoroanilino)-N-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 150116370
N-(2-cyclopentylethyl)-2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 69040190
2-(4-chloro-3-methylanilino)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 68620191
(5-fluoro-3-pyridinyl)-morpholin-2-ylmethanone
CID 116561776
N-(cyclobutylmethyl)-2-(3,4-dichloroanilino)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10251496
N-(3-chlorophenyl)-5-[[[(2R)-oxolan-2-yl]methylamino]methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 69232407
[2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methanol
CID 58168920

Frequently Asked Questions

What is the IUPAC name of [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone?
The IUPAC name of [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone (CID 69037183) is [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone.
What is the SMILES notation for [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone?
The canonical SMILES for [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone is O=C(c1cnc(Nc2cc(Cl)cc(Cl)c2)nc1C(F)(F)F)C1CNCCO1.
What is the InChIKey of [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone?
The InChIKey is IOZNDRIQSVAMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F3N4O2/c17-8-3-9(18)5-10(4-8)24-15-23-6-11(14(25-15)16(19,20)21)13(26)12-7-22-1-2-27-12/h3-6,12,22H,1-2,7H2,(H,23,24,25).
What are the key properties of [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone?
[2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone has a molecular weight of 421.21 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,5-dichloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]-morpholin-2-ylmethanone is sourced from PubChem (CID 69037183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).