4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid

C21H15F6N5O2 — CID 87589099

IUPAC4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1nc(NCCc2ccccn2)cc(-c2cccc(C(F)(F)F)c2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H14F3N5.C2HF3O2/c20-19(21,22)14-5-3-4-13(10-14)16-11-17(27-18(12-23)26-16)25-9-7-15-6-1-2-8-24-15;3-2(4,5)1(6)7/h1-6,8,10-11H,7,9H2,(H,25,26,27);(H,6,7)
InChIKeyUKGWJWQCFUGSNQ-UHFFFAOYSA-N
MW483.37 g/mol
LogP4.72
Rot. Bonds5

About 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid

4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid (PubChem CID 87589099) has the molecular formula C21H15F6N5O2 and a molecular weight of 483.37 g/mol. Its IUPAC name is 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid
PubChem CID87589099
Molecular FormulaC21H15F6N5O2
Molecular Weight483.37 g/mol
Exact Mass483.11
IUPAC Name4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid
SMILESN#Cc1nc(NCCc2ccccn2)cc(-c2cccc(C(F)(F)F)c2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H14F3N5.C2HF3O2/c20-19(21,22)14-5-3-4-13(10-14)16-11-17(27-18(12-23)26-16)25-9-7-15-6-1-2-8-24-15;3-2(4,5)1(6)7/h1-6,8,10-11H,7,9H2,(H,25,26,27);(H,6,7)
InChIKeyUKGWJWQCFUGSNQ-UHFFFAOYSA-N
XLogP4.72
TPSA111.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

4-[[2-[(dimethylamino)methyl]phenyl]methylamino]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 87590121
4-(3-piperazin-1-ylpropyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid
CID 87671735
6-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717234
(2R)-2-[3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propylamino]propanamide
CID 11603261
1-methyl-N-(2-pyridin-2-ylethyl)-6-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134802627
1-[3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propylamino]cyclopropane-1-carboxamide
CID 52949508
1-[3-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]propyl]-1-methylurea
CID 11523403
4-[3-[(3,5-difluoro-2-pyridinyl)amino]propyl]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 69048465
3-[2-phenyl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-3-yl]-N-(2-pyridin-2-ylethyl)propanamide
CID 83289167
1-[2-cyano-6-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]-1-methylurea
CID 68825785
N-(2-pyridin-2-ylethyl)-3-[3-(trifluoromethyl)phenoxy]benzamide
CID 46652635
4-[2-(2-methylpropylamino)ethoxy]-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile
CID 90971200

Frequently Asked Questions

What is the IUPAC name of 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid (CID 87589099) is 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid is N#Cc1nc(NCCc2ccccn2)cc(-c2cccc(C(F)(F)F)c2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid?
The InChIKey is UKGWJWQCFUGSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N5.C2HF3O2/c20-19(21,22)14-5-3-4-13(10-14)16-11-17(27-18(12-23)26-16)25-9-7-15-6-1-2-8-24-15;3-2(4,5)1(6)7/h1-6,8,10-11H,7,9H2,(H,25,26,27);(H,6,7).
What are the key properties of 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid?
4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid has a molecular weight of 483.37 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyridin-2-ylethylamino)-6-[3-(trifluoromethyl)phenyl]pyrimidine-2-carbonitrile;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 87589099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).