2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

C17H17F3N8 — CID 154883096

IUPAC2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H17F3N8/c1-12-24-15(10-16(25-12)28-4-2-3-23-28)27-7-5-26(6-8-27)14-9-13(17(18,19)20)21-11-22-14/h2-4,9-11H,5-8H2,1H3
InChIKeyHGGBTMJDLPDCIP-UHFFFAOYSA-N
MW390.37 g/mol
LogP2.11
Rot. Bonds3

About 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine

2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (PubChem CID 154883096) has the molecular formula C17H17F3N8 and a molecular weight of 390.37 g/mol. Its IUPAC name is 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.

Molecular Properties

Compound Name2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
PubChem CID154883096
Molecular FormulaC17H17F3N8
Molecular Weight390.37 g/mol
Exact Mass390.15
IUPAC Name2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine
SMILESCc1nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(-n2cccn2)n1
InChIInChI=1S/C17H17F3N8/c1-12-24-15(10-16(25-12)28-4-2-3-23-28)27-7-5-26(6-8-27)14-9-13(17(18,19)20)21-11-22-14/h2-4,9-11H,5-8H2,1H3
InChIKeyHGGBTMJDLPDCIP-UHFFFAOYSA-N
XLogP2.11
TPSA75.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.37
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The IUPAC name of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine (CID 154883096) is 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine.
What is the SMILES notation for 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The canonical SMILES for 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is Cc1nc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)cc(-n2cccn2)n1.
What is the InChIKey of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
The InChIKey is HGGBTMJDLPDCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N8/c1-12-24-15(10-16(25-12)28-4-2-3-23-28)27-7-5-26(6-8-27)14-9-13(17(18,19)20)21-11-22-14/h2-4,9-11H,5-8H2,1H3.
What are the key properties of 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine?
2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine has a molecular weight of 390.37 g/mol, XLogP of 2.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrazol-1-yl-6-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]pyrimidine is sourced from PubChem (CID 154883096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).