N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N5 — CID 114567101

IUPACN-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)CN(c1cc(C(F)(F)F)nc(NN)n1)C1CC1
InChIInChI=1S/C12H18F3N5/c1-7(2)6-20(8-3-4-8)10-5-9(12(13,14)15)17-11(18-10)19-16/h5,7-8H,3-4,6,16H2,1-2H3,(H,17,18,19)
InChIKeyHWZGRRMFQSRLKL-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.41
Rot. Bonds5

About N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine

N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567101) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567101
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(C)CN(c1cc(C(F)(F)F)nc(NN)n1)C1CC1
InChIInChI=1S/C12H18F3N5/c1-7(2)6-20(8-3-4-8)10-5-9(12(13,14)15)17-11(18-10)19-16/h5,7-8H,3-4,6,16H2,1-2H3,(H,17,18,19)
InChIKeyHWZGRRMFQSRLKL-UHFFFAOYSA-N
XLogP2.41
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.41
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

4-N-cyclopropyl-4-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564619
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
4-N-cyclopropyl-2-N,6-dimethyl-4-N-(2-methylpropyl)pyrimidine-2,4-diamine
CID 80811378
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
N-cyclopentyl-6-hydrazinyl-N-(2-methylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 80968904
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
2-[cyclopropyl-[2-(propylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 114564596
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566985
4-N-cyclopentyl-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 80855037

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567101) is N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine is CC(C)CN(c1cc(C(F)(F)F)nc(NN)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is HWZGRRMFQSRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c1-7(2)6-20(8-3-4-8)10-5-9(12(13,14)15)17-11(18-10)19-16/h5,7-8H,3-4,6,16H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine?
N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).