N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C16H17BrF3N5 — CID 171994950

IUPACN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)ncn1)C1CCCN(c2ncccc2Br)C1
InChIInChI=1S/C16H17BrF3N5/c1-24(14-8-13(16(18,19)20)22-10-23-14)11-4-3-7-25(9-11)15-12(17)5-2-6-21-15/h2,5-6,8,10-11H,3-4,7,9H2,1H3
InChIKeyIFGNDJPINQCFIL-UHFFFAOYSA-N
MW416.25 g/mol
LogP3.76
Rot. Bonds3

About N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 171994950) has the molecular formula C16H17BrF3N5 and a molecular weight of 416.25 g/mol. Its IUPAC name is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID171994950
Molecular FormulaC16H17BrF3N5
Molecular Weight416.25 g/mol
Exact Mass415.06
IUPAC NameN-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)ncn1)C1CCCN(c2ncccc2Br)C1
InChIInChI=1S/C16H17BrF3N5/c1-24(14-8-13(16(18,19)20)22-10-23-14)11-4-3-7-25(9-11)15-12(17)5-2-6-21-15/h2,5-6,8,10-11H,3-4,7,9H2,1H3
InChIKeyIFGNDJPINQCFIL-UHFFFAOYSA-N
XLogP3.76
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.25
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine 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

N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 171995745
N-methyl-N-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 172893299
1-(3-bromo-2-pyridinyl)-N,N-dimethylpyrrolidin-3-amine
CID 63174837
N-[1-(3-bromo-2-pyridinyl)pyrrolidin-3-yl]-N-cyclopropyl-6-methoxypyrimidin-4-amine
CID 171995144
N-[1-(5,6-dimethylpyrimidin-4-yl)azetidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 172899842
N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-6-methylpyrimidin-4-amine
CID 171994309
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171997767
2-bromo-4-[3-[methyl(pyrimidin-4-yl)amino]piperidin-1-yl]benzonitrile
CID 172881568
N-[(3R)-1-(3-fluorophenyl)piperidin-3-yl]-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 171540166
3-bromo-2-(3-chloro-4-methylpiperidin-1-yl)pyridine
CID 102960861

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 171994950) is N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(c1cc(C(F)(F)F)ncn1)C1CCCN(c2ncccc2Br)C1.
What is the InChIKey of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is IFGNDJPINQCFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrF3N5/c1-24(14-8-13(16(18,19)20)22-10-23-14)11-4-3-7-25(9-11)15-12(17)5-2-6-21-15/h2,5-6,8,10-11H,3-4,7,9H2,1H3.
What are the key properties of N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 416.25 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-bromo-2-pyridinyl)piperidin-3-yl]-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 171994950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).