N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

C13H20F3N5 — CID 106012981

IUPACN-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCCCC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)10-8-11(20-12(19-10)21-17)18-7-3-6-9-4-1-2-5-9/h8-9H,1-7,17H2,(H2,18,19,20,21)
InChIKeyFYURVZNTJIEYGA-UHFFFAOYSA-N
MW303.33 g/mol
LogP3.16
Rot. Bonds6

About N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106012981) has the molecular formula C13H20F3N5 and a molecular weight of 303.33 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106012981
Molecular FormulaC13H20F3N5
Molecular Weight303.33 g/mol
Exact Mass303.17
IUPAC NameN-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESNNc1nc(NCCCC2CCCC2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H20F3N5/c14-13(15,16)10-8-11(20-12(19-10)21-17)18-7-3-6-9-4-1-2-5-9/h8-9H,1-7,17H2,(H2,18,19,20,21)
InChIKeyFYURVZNTJIEYGA-UHFFFAOYSA-N
XLogP3.16
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyclopentylethyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566995
2-hydrazinyl-N-(4-methylpentyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567205
N-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106043678
4-N-(2-cyclobutylethyl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565829
[4-(cyclopentylmethoxy)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567813
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
2-tert-butyl-4-N-(3-cyclopentylpropyl)pyrimidine-4,6-diamine
CID 106015132

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 106012981) is N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is NNc1nc(NCCCC2CCCC2)cc(C(F)(F)F)n1.
What is the InChIKey of N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FYURVZNTJIEYGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N5/c14-13(15,16)10-8-11(20-12(19-10)21-17)18-7-3-6-9-4-1-2-5-9/h8-9H,1-7,17H2,(H2,18,19,20,21).
What are the key properties of N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 303.33 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106012981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).