N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C21H21F3N6 — CID 133318334

IUPACN-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccnc(N3CCCCC3)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H21F3N6/c22-21(23,24)17-13-18(29-20(28-17)16-5-7-25-8-6-16)27-14-15-4-9-26-19(12-15)30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11,14H2,(H,27,28,29)
InChIKeyXYGQCZOBFYNUKA-UHFFFAOYSA-N
MW414.44 g/mol
LogP4.55
Rot. Bonds5

About N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133318334) has the molecular formula C21H21F3N6 and a molecular weight of 414.44 g/mol. Its IUPAC name is N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133318334
Molecular FormulaC21H21F3N6
Molecular Weight414.44 g/mol
Exact Mass414.18
IUPAC NameN-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NCc2ccnc(N3CCCCC3)c2)nc(-c2ccncc2)n1
InChIInChI=1S/C21H21F3N6/c22-21(23,24)17-13-18(29-20(28-17)16-5-7-25-8-6-16)27-14-15-4-9-26-19(12-15)30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11,14H2,(H,27,28,29)
InChIKeyXYGQCZOBFYNUKA-UHFFFAOYSA-N
XLogP4.55
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine with MolForge

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Related Compounds

N,N-dimethyl-4-[[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 133317467
1-[2-(azocan-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 62280361
2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318458
N-[[2-(azepan-1-yl)-4-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
CID 75420088
4-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112893866
2-methyl-1-[(2-piperidin-1-yl-4-pyridinyl)methyl]-3-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]guanidine
CID 111687522
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133385618
2-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112884645
4-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidine
CID 133458800
2-pyridin-4-yl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidine
CID 133318191
6-(4-methylpiperazin-1-yl)-2-phenyl-N-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 112880940
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133497972

Frequently Asked Questions

What is the IUPAC name of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133318334) is N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NCc2ccnc(N3CCCCC3)c2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is XYGQCZOBFYNUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N6/c22-21(23,24)17-13-18(29-20(28-17)16-5-7-25-8-6-16)27-14-15-4-9-26-19(12-15)30-10-2-1-3-11-30/h4-9,12-13H,1-3,10-11,14H2,(H,27,28,29).
What are the key properties of N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 414.44 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-piperidin-1-yl-4-pyridinyl)methyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133318334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).