N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

C17H19F3N8 — CID 126889695

IUPACN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H19F3N8/c1-10-24-15-12(8-23-27(15)2)16(25-10)28-5-3-11(4-6-28)26-14-7-13(17(18,19)20)21-9-22-14/h7-9,11H,3-6H2,1-2H3,(H,21,22,26)
InChIKeyLLYWNKGSJFMDIX-UHFFFAOYSA-N
MW392.39 g/mol
LogP2.56
Rot. Bonds3

About N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 126889695) has the molecular formula C17H19F3N8 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID126889695
Molecular FormulaC17H19F3N8
Molecular Weight392.39 g/mol
Exact Mass392.17
IUPAC NameN-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1nc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)c2cnn(C)c2n1
InChIInChI=1S/C17H19F3N8/c1-10-24-15-12(8-23-27(15)2)16(25-10)28-5-3-11(4-6-28)26-14-7-13(17(18,19)20)21-9-22-14/h7-9,11H,3-6H2,1-2H3,(H,21,22,26)
InChIKeyLLYWNKGSJFMDIX-UHFFFAOYSA-N
XLogP2.56
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 165433268
N-(1-pyrazolo[1,5-a]pyrazin-4-ylpiperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889693
4-[4-(3,6-dimethylpyrazin-2-yl)oxypiperidin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 163350566
tert-butyl N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]carbamate
CID 156555085
N-[1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 171704970
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889699
4-[4-(2-cyclopropyl-5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 154882886
1,6-dimethyl-4-[2-(6-methylpyrimidin-4-yl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyrazolo[5,4-d]pyrimidine
CID 126858164
3-[[1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-one
CID 126943506
1,6-dimethyl-4-(4-propan-2-ylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidine
CID 47292699
4-(4-ethylpiperazin-1-yl)-1,6-dimethylpyrazolo[5,4-d]pyrimidine
CID 47292239
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-6-methylpyrimidin-4-amine
CID 133336237

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine (CID 126889695) is N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is Cc1nc(N2CCC(Nc3cc(C(F)(F)F)ncn3)CC2)c2cnn(C)c2n1.
What is the InChIKey of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LLYWNKGSJFMDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N8/c1-10-24-15-12(8-23-27(15)2)16(25-10)28-5-3-11(4-6-28)26-14-7-13(17(18,19)20)21-9-22-14/h7-9,11H,3-6H2,1-2H3,(H,21,22,26).
What are the key properties of N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 392.39 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 126889695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).