1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine

C15H19F3N6 — CID 25247772

IUPAC1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1c(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)cnn1C
InChIInChI=1S/C15H19F3N6/c1-9-11(8-20-23(9)2)12-7-13(15(16,17)18)22-14(21-12)24-5-3-10(19)4-6-24/h7-8,10H,3-6,19H2,1-2H3
InChIKeyFLWZPHLVLPXKMI-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.13
Rot. Bonds2

About 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine

1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine (PubChem CID 25247772) has the molecular formula C15H19F3N6 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
PubChem CID25247772
Molecular FormulaC15H19F3N6
Molecular Weight340.35 g/mol
Exact Mass340.16
IUPAC Name1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine
SMILESCc1c(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)cnn1C
InChIInChI=1S/C15H19F3N6/c1-9-11(8-20-23(9)2)12-7-13(15(16,17)18)22-14(21-12)24-5-3-10(19)4-6-24/h7-8,10H,3-6,19H2,1-2H3
InChIKeyFLWZPHLVLPXKMI-UHFFFAOYSA-N
XLogP2.13
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The IUPAC name of 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine (CID 25247772) is 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The canonical SMILES for 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine is Cc1c(-c2cc(C(F)(F)F)nc(N3CCC(N)CC3)n2)cnn1C.
What is the InChIKey of 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
The InChIKey is FLWZPHLVLPXKMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N6/c1-9-11(8-20-23(9)2)12-7-13(15(16,17)18)22-14(21-12)24-5-3-10(19)4-6-24/h7-8,10H,3-6,19H2,1-2H3.
What are the key properties of 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine?
1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine has a molecular weight of 340.35 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,5-dimethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-amine is sourced from PubChem (CID 25247772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).