4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide

C17H25F3N6 — CID 119152066

IUPAC4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1CCCC(C(F)(F)F)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H25F3N6/c18-17(19,20)14-4-1-3-13(11-14)12-24-15(21)25-7-9-26(10-8-25)16-22-5-2-6-23-16/h2,5-6,13-14H,1,3-4,7-12H2,(H2,21,24)
InChIKeyXZGUMQRBIREPDS-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.28
Rot. Bonds3

About 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide

4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide (PubChem CID 119152066) has the molecular formula C17H25F3N6 and a molecular weight of 370.42 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide
PubChem CID119152066
Molecular FormulaC17H25F3N6
Molecular Weight370.42 g/mol
Exact Mass370.21
IUPAC Name4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1CCCC(C(F)(F)F)C1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H25F3N6/c18-17(19,20)14-4-1-3-13(11-14)12-24-15(21)25-7-9-26(10-8-25)16-22-5-2-6-23-16/h2,5-6,13-14H,1,3-4,7-12H2,(H2,21,24)
InChIKeyXZGUMQRBIREPDS-UHFFFAOYSA-N
XLogP2.28
TPSA70.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide (CID 119152066) is 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide is N/C(=N\CC1CCCC(C(F)(F)F)C1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide?
The InChIKey is XZGUMQRBIREPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N6/c18-17(19,20)14-4-1-3-13(11-14)12-24-15(21)25-7-9-26(10-8-25)16-22-5-2-6-23-16/h2,5-6,13-14H,1,3-4,7-12H2,(H2,21,24).
What are the key properties of 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide?
4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide has a molecular weight of 370.42 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N'-[[3-(trifluoromethyl)cyclohexyl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 119152066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).