N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N5 — CID 114566995

IUPACN-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCCC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)9-7-10(19-11(18-9)20-16)17-6-5-8-3-1-2-4-8/h7-8H,1-6,16H2,(H2,17,18,19,20)
InChIKeyAFUXUFFEKHDKCC-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.77
Rot. Bonds5

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

N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114566995) has the molecular formula C12H18F3N5 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114566995
Molecular FormulaC12H18F3N5
Molecular Weight289.31 g/mol
Exact Mass289.15
IUPAC NameN-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCCC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5/c13-12(14,15)9-7-10(19-11(18-9)20-16)17-6-5-8-3-1-2-4-8/h7-8H,1-6,16H2,(H2,17,18,19,20)
InChIKeyAFUXUFFEKHDKCC-UHFFFAOYSA-N
XLogP2.77
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.77
H-Bond Donors ≤ 53
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-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 106012981
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
2-N,4-N-bis(cyclopropylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 133334171
N'-ethyl-N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methylethane-1,2-diamine
CID 114567188
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 114567304
2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567470
4-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564036
2-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114169698
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
6-N-(2-cyclopentylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717681

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114566995) is N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(NCCC2CCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is AFUXUFFEKHDKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5/c13-12(14,15)9-7-10(19-11(18-9)20-16)17-6-5-8-3-1-2-4-8/h7-8H,1-6,16H2,(H2,17,18,19,20).
What are the key properties of N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 289.31 g/mol, XLogP of 2.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114566995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).