4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine

C13H15F3N6 — CID 171102536

IUPAC4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2cn[nH]c2)c(C(F)(F)F)c(C2CCCNC2)n1
InChIInChI=1S/C13H15F3N6/c14-13(15,16)9-10(7-2-1-3-18-4-7)21-12(17)22-11(9)8-5-19-20-6-8/h5-7,18H,1-4H2,(H,19,20)(H2,17,21,22)
InChIKeyGVCCTSQWPBGCFK-UHFFFAOYSA-N
MW312.30 g/mol
LogP1.93
Rot. Bonds2

About 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine

4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 171102536) has the molecular formula C13H15F3N6 and a molecular weight of 312.30 g/mol. Its IUPAC name is 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID171102536
Molecular FormulaC13H15F3N6
Molecular Weight312.30 g/mol
Exact Mass312.13
IUPAC Name4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
SMILESNc1nc(-c2cn[nH]c2)c(C(F)(F)F)c(C2CCCNC2)n1
InChIInChI=1S/C13H15F3N6/c14-13(15,16)9-10(7-2-1-3-18-4-7)21-12(17)22-11(9)8-5-19-20-6-8/h5-7,18H,1-4H2,(H,19,20)(H2,17,21,22)
InChIKeyGVCCTSQWPBGCFK-UHFFFAOYSA-N
XLogP1.93
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-piperidin-3-yl]-4-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 171102501
5-(4-methoxyphenyl)-4-piperidin-3-ylpyrimidin-2-amine
CID 110246159
2-methoxy-5-piperidin-3-yl-4-(trifluoromethyl)pyrimidine
CID 82666009
4-[(3R)-pyrrolidin-3-yl]-1H-pyrazole
CID 96637487
5-piperidin-3-yl-3-(trifluoromethyl)-1,2-oxazole
CID 83849509
(3S)-3-[4-[4-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]piperidine
CID 95839881
2-piperidin-3-ylpyrimidin-5-ol
CID 117231651
3-[3,5-bis(trifluoromethyl)phenyl]piperidine
CID 45073834
2-piperidin-3-yl-3-[4-(trifluoromethyl)phenoxy]pyrazine
CID 175661292
N-methyl-5-(1H-pyrazol-4-yl)-6-pyrimidin-4-yl-3-pyrrolidin-3-ylpyrazin-2-amine
CID 66765817
(3R)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074264
(3S)-3-[4-(trifluoromethyl)phenyl]piperidine;hydrochloride
CID 45074262

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine (CID 171102536) is 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is Nc1nc(-c2cn[nH]c2)c(C(F)(F)F)c(C2CCCNC2)n1.
What is the InChIKey of 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GVCCTSQWPBGCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N6/c14-13(15,16)9-10(7-2-1-3-18-4-7)21-12(17)22-11(9)8-5-19-20-6-8/h5-7,18H,1-4H2,(H,19,20)(H2,17,21,22).
What are the key properties of 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine?
4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 312.30 g/mol, XLogP of 1.93, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-3-yl-6-(1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 171102536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).