N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine

C15H19F3N6 — CID 133275801

IUPACN,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCCC(n3cccn3)C2)n1
InChIInChI=1S/C15H19F3N6/c1-22(2)13-9-12(15(16,17)18)20-14(21-13)23-7-3-5-11(10-23)24-8-4-6-19-24/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyMFPMCRPFXWYKQZ-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.60
Rot. Bonds3

About N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine

N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133275801) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133275801
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC NameN,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(C(F)(F)F)nc(N2CCCC(n3cccn3)C2)n1
InChIInChI=1S/C15H19F3N6/c1-22(2)13-9-12(15(16,17)18)20-14(21-13)23-7-3-5-11(10-23)24-8-4-6-19-24/h4,6,8-9,11H,3,5,7,10H2,1-2H3
InChIKeyMFPMCRPFXWYKQZ-UHFFFAOYSA-N
XLogP2.60
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-[4-(dimethylamino)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-3-yl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133497568
2-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133292109
N,N-dimethyl-2-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133279645
2-[3-(3,5-dimethoxyanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362299
2-fluoro-6-(3-pyrazol-1-ylpiperidin-1-yl)pyridine
CID 133275758
N,N-dimethyl-2-(4-propyl-1,4-diazepan-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 133314312
2-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274040
1-[4-nitro-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylpiperidine
CID 133275718
2-[4-(2-fluoroanilino)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133330758
4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275818
2-[2-(4-bromophenyl)morpholin-4-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133274501
2-[4-(4-fluorophenoxy)piperidin-1-yl]-N,N-dimethyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133316055

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 133275801) is N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine is CN(C)c1cc(C(F)(F)F)nc(N2CCCC(n3cccn3)C2)n1.
What is the InChIKey of N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is MFPMCRPFXWYKQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-22(2)13-9-12(15(16,17)18)20-14(21-13)23-7-3-5-11(10-23)24-8-4-6-19-24/h4,6,8-9,11H,3,5,7,10H2,1-2H3.
What are the key properties of N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine?
N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 340.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-pyrazol-1-ylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133275801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).