5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine

C21H13ClF3N5 — CID 68697302

IUPAC5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)ccn2)cn1
InChIInChI=1S/C21H13ClF3N5/c22-15-4-1-12(2-5-15)17-10-18(21(23,24)25)30-20(29-17)13-7-8-27-16(9-13)14-3-6-19(26)28-11-14/h1-11H,(H2,26,28)
InChIKeyUZHWQAVTRLBFTG-UHFFFAOYSA-N
MW427.82 g/mol
LogP5.52
Rot. Bonds3

About 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine

5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine (PubChem CID 68697302) has the molecular formula C21H13ClF3N5 and a molecular weight of 427.82 g/mol. Its IUPAC name is 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
PubChem CID68697302
Molecular FormulaC21H13ClF3N5
Molecular Weight427.82 g/mol
Exact Mass427.08
IUPAC Name5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine
SMILESNc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)ccn2)cn1
InChIInChI=1S/C21H13ClF3N5/c22-15-4-1-12(2-5-15)17-10-18(21(23,24)25)30-20(29-17)13-7-8-27-16(9-13)14-3-6-19(26)28-11-14/h1-11H,(H2,26,28)
InChIKeyUZHWQAVTRLBFTG-UHFFFAOYSA-N
XLogP5.52
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.82
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]thiophene-2-sulfonamide
CID 57468902
2-(2-phenyl-4-pyridinyl)-4-(trifluoromethyl)-6-[6-(trifluoromethyl)-3-pyridinyl]pyrimidine
CID 141215419
2-(2-pyridin-3-yl-4-pyridinyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 86615453
4-(4-chlorophenyl)-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]pyrimidine
CID 154708171
4-(4-chlorophenyl)-2-(3-pyridin-4-yl-1H-pyrazol-5-yl)-6-(trifluoromethyl)pyrimidine
CID 141288900
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonamide
CID 57468918
3-[3-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]benzenesulfonic acid
CID 57468919
3-[4-[4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidin-2-yl]-2-pyridinyl]benzenesulfonamide
CID 57469114
4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidine-2-carbonitrile
CID 57468700
2-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)-6-[3-(trifluoromethyl)phenyl]pyrimidine
CID 57468773
N,4-bis(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 1419469
1-(4-bromophenyl)-2-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylethanone
CID 21383060

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The IUPAC name of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine (CID 68697302) is 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine.
What is the SMILES notation for 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The canonical SMILES for 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine is Nc1ccc(-c2cc(-c3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3)ccn2)cn1.
What is the InChIKey of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
The InChIKey is UZHWQAVTRLBFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClF3N5/c22-15-4-1-12(2-5-15)17-10-18(21(23,24)25)30-20(29-17)13-7-8-27-16(9-13)14-3-6-19(26)28-11-14/h1-11H,(H2,26,28).
What are the key properties of 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine?
5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine has a molecular weight of 427.82 g/mol, XLogP of 5.52, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(4-chlorophenyl)-6-(trifluoromethyl)pyrimidin-2-yl]-2-pyridinyl]pyridin-2-amine is sourced from PubChem (CID 68697302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).