4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine

C21H20F4N6O — CID 23535905

IUPAC4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)C(F)(F)Oc1cccc(Nc2ncnc(-c3ccnc(N4CCCCC4)c3)n2)c1
InChIInChI=1S/C21H20F4N6O/c22-19(23)21(24,25)32-16-6-4-5-15(12-16)29-20-28-13-27-18(30-20)14-7-8-26-17(11-14)31-9-2-1-3-10-31/h4-8,11-13,19H,1-3,9-10H2,(H,27,28,29,30)
InChIKeyUDYFUCMRTDGLGP-UHFFFAOYSA-N
MW448.42 g/mol
LogP4.90
Rot. Bonds7

About 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine

4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine (PubChem CID 23535905) has the molecular formula C21H20F4N6O and a molecular weight of 448.42 g/mol. Its IUPAC name is 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
PubChem CID23535905
Molecular FormulaC21H20F4N6O
Molecular Weight448.42 g/mol
Exact Mass448.16
IUPAC Name4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine
SMILESFC(F)C(F)(F)Oc1cccc(Nc2ncnc(-c3ccnc(N4CCCCC4)c3)n2)c1
InChIInChI=1S/C21H20F4N6O/c22-19(23)21(24,25)32-16-6-4-5-15(12-16)29-20-28-13-27-18(30-20)14-7-8-26-17(11-14)31-9-2-1-3-10-31/h4-8,11-13,19H,1-3,9-10H2,(H,27,28,29,30)
InChIKeyUDYFUCMRTDGLGP-UHFFFAOYSA-N
XLogP4.90
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

8-ethyl-2-{[3-(1,1,2,2-tetrafluoroethoxy)phenyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5330209
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
N-[3-(difluoromethoxy)phenyl]-4-(2-pyridinyl)-1-piperazinecarbothioamide
CID 1080923
3-{[4-(2-{[3-(1,1,2,2-Tetrafluoroethoxy)phenyl]amino}pyrimidin-4-yl)pyridin-2-yl]amino}propan-1-ol
CID 19967010
6-[(3-Methoxyanilino)methyl]pyrido[2,3-d]pyrimidine-2,4-diamine
CID 511805
(4-Pyridin-4-yl-pyrimidin-2-yl)-[3-(1,1,2,2-tetrafluoro-ethoxy)-phenyl]-amine
CID 9799152
4-(3-Methoxyanilino)-2-(2-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 9950111
4-(2-Chloro-5-methoxyanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10110345
4-(5-Methoxy-2-methylanilino)-2-(4-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10133127
4-(2,5-Dimethoxyanilino)-2-(3-pyridinyl)-6-(trifluoromethyl)pyrimidine
CID 10156358
N-(3-methoxyphenyl)-7-(pyridin-2-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 11278548
6-(pyridin-4-yl)-N-(4-(trifluoromethoxy)phenyl)pyrimidin-4-amine
CID 11381980

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine (CID 23535905) is 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine is FC(F)C(F)(F)Oc1cccc(Nc2ncnc(-c3ccnc(N4CCCCC4)c3)n2)c1.
What is the InChIKey of 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is UDYFUCMRTDGLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N6O/c22-19(23)21(24,25)32-16-6-4-5-15(12-16)29-20-28-13-27-18(30-20)14-7-8-26-17(11-14)31-9-2-1-3-10-31/h4-8,11-13,19H,1-3,9-10H2,(H,27,28,29,30).
What are the key properties of 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine?
4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 448.42 g/mol, XLogP of 4.90, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperidin-1-yl-4-pyridinyl)-N-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 23535905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).