N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C13H20F3N5 — CID 114566983

IUPACN-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)nc(NN)n1)C1CCCCCC1
InChIInChI=1S/C13H20F3N5/c1-21(9-6-4-2-3-5-7-9)11-8-10(13(14,15)16)18-12(19-11)20-17/h8-9H,2-7,17H2,1H3,(H,18,19,20)
InChIKeyHVSDJSXANCJTAY-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.94
Rot. Bonds3

About N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114566983) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114566983
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC NameN-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)nc(NN)n1)C1CCCCCC1
InChIInChI=1S/C13H20F3N5/c1-21(9-6-4-2-3-5-7-9)11-8-10(13(14,15)16)18-12(19-11)20-17/h8-9H,2-7,17H2,1H3,(H,18,19,20)
InChIKeyHVSDJSXANCJTAY-UHFFFAOYSA-N
XLogP2.94
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566985
4-N-cyclobutyl-4-N-methyl-2-N-propyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565958
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
2-chloro-N-cyclobutyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562925
N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567101
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567157
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
4-N-cycloheptyl-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80899128
4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564216
4-N-cycloheptyl-4-N-methylpyrimidine-2,4,6-triamine
CID 80788881

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114566983) is N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(c1cc(C(F)(F)F)nc(NN)n1)C1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HVSDJSXANCJTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c1-21(9-6-4-2-3-5-7-9)11-8-10(13(14,15)16)18-12(19-11)20-17/h8-9H,2-7,17H2,1H3,(H,18,19,20).
What are the key properties of N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114566983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).