6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide

C17H13F3N6O2 — CID 155393217

IUPAC6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N)nc(Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)9-1-6-14(23-8-9)28-11-4-2-10(3-5-11)24-16-25-12(15(22)27)7-13(21)26-16/h1-8H,(H2,22,27)(H3,21,24,25,26)
InChIKeyHWXLAIKFYVAANF-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.11
Rot. Bonds5

About 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide

6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide (PubChem CID 155393217) has the molecular formula C17H13F3N6O2 and a molecular weight of 390.33 g/mol. Its IUPAC name is 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide
PubChem CID155393217
Molecular FormulaC17H13F3N6O2
Molecular Weight390.33 g/mol
Exact Mass390.11
IUPAC Name6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide
SMILESNC(=O)c1cc(N)nc(Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1
InChIInChI=1S/C17H13F3N6O2/c18-17(19,20)9-1-6-14(23-8-9)28-11-4-2-10(3-5-11)24-16-25-12(15(22)27)7-13(21)26-16/h1-8H,(H2,22,27)(H3,21,24,25,26)
InChIKeyHWXLAIKFYVAANF-UHFFFAOYSA-N
XLogP3.11
TPSA129.04 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide 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

6-[[(2S)-3-oxobutan-2-yl]amino]-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 118653178
6-(1-amino-1-oxopropan-2-yl)oxy-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 90390139
6-[(2S)-1-amino-1-oxopropan-2-yl]oxy-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrimidine-4-carboxamide
CID 85470004
N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 54593529
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
CID 3730311
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
3-N-(4-phenoxyphenyl)-5-(trifluoromethyl)pyridine-2,3-diamine
CID 28847148
3-[[5-(trifluoromethyl)-2-pyridinyl]oxy]aniline
CID 13490922
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
4-[[2-amino-5-(trifluoromethyl)-3-pyridinyl]amino]benzamide
CID 28846992
2-methyl-N-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]benzamide
CID 12878239

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide?
The IUPAC name of 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide (CID 155393217) is 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide is NC(=O)c1cc(N)nc(Nc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)n1.
What is the InChIKey of 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide?
The InChIKey is HWXLAIKFYVAANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N6O2/c18-17(19,20)9-1-6-14(23-8-9)28-11-4-2-10(3-5-11)24-16-25-12(15(22)27)7-13(21)26-16/h1-8H,(H2,22,27)(H3,21,24,25,26).
What are the key properties of 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide?
6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide has a molecular weight of 390.33 g/mol, XLogP of 3.11, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 155393217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).