6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid

C15H20F3N7O2 — CID 175155770

IUPAC6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N7.C2HF3O2/c1-9-7-11(16-12-8-10(2)18-19-12)17-13(15-9)20-5-3-14-4-6-20;3-2(4,5)1(6)7/h7-8,14H,3-6H2,1-2H3,(H2,15,16,17,18,19);(H,6,7)
InChIKeyXXMUVOIVAFSSQC-UHFFFAOYSA-N
MW387.37 g/mol
LogP1.60
Rot. Bonds3

About 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid

6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid (PubChem CID 175155770) has the molecular formula C15H20F3N7O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
PubChem CID175155770
Molecular FormulaC15H20F3N7O2
Molecular Weight387.37 g/mol
Exact Mass387.16
IUPAC Name6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid
SMILESCc1cc(Nc2cc(C)[nH]n2)nc(N2CCNCC2)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H19N7.C2HF3O2/c1-9-7-11(16-12-8-10(2)18-19-12)17-13(15-9)20-5-3-14-4-6-20;3-2(4,5)1(6)7/h7-8,14H,3-6H2,1-2H3,(H2,15,16,17,18,19);(H,6,7)
InChIKeyXXMUVOIVAFSSQC-UHFFFAOYSA-N
XLogP1.60
TPSA119.06 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 51.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid (CID 175155770) is 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid is Cc1cc(Nc2cc(C)[nH]n2)nc(N2CCNCC2)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
The InChIKey is XXMUVOIVAFSSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7.C2HF3O2/c1-9-7-11(16-12-8-10(2)18-19-12)17-13(15-9)20-5-3-14-4-6-20;3-2(4,5)1(6)7/h7-8,14H,3-6H2,1-2H3,(H2,15,16,17,18,19);(H,6,7).
What are the key properties of 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid?
6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid has a molecular weight of 387.37 g/mol, XLogP of 1.60, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(5-methyl-1H-pyrazol-3-yl)-2-piperazin-1-ylpyrimidin-4-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175155770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).