3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile

C12H17F3N6 — CID 106775569

IUPAC3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N6/c1-8(2)7-21(5-3-4-16)10-6-9(20-17)18-11(19-10)12(13,14)15/h6,8H,3,5,7,17H2,1-2H3,(H,18,19,20)
InChIKeyKJIMIRBJKDSZKJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP2.16
Rot. Bonds6

About 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile

3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile (PubChem CID 106775569) has the molecular formula C12H17F3N6 and a molecular weight of 302.30 g/mol. Its IUPAC name is 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
PubChem CID106775569
Molecular FormulaC12H17F3N6
Molecular Weight302.30 g/mol
Exact Mass302.15
IUPAC Name3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
SMILESCC(C)CN(CCC#N)c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H17F3N6/c1-8(2)7-21(5-3-4-16)10-6-9(20-17)18-11(19-10)12(13,14)15/h6,8H,3,5,7,17H2,1-2H3,(H,18,19,20)
InChIKeyKJIMIRBJKDSZKJ-UHFFFAOYSA-N
XLogP2.16
TPSA90.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

3-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80962137
6-hydrazinyl-N-methyl-N-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775973
3-[[2-ethyl-6-(methylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80934878
6-hydrazinyl-N,N-dimethyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775982
N'-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N,N,N'-trimethylpropane-1,3-diamine
CID 106775714
N-butan-2-yl-N-ethyl-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775326
4-N,4-N-bis(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771018
3-[[2-ethyl-6-(propylamino)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile
CID 80940313
6-hydrazinyl-N-(3-methoxypropyl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775663
4-N-ethyl-4-N-(2-methylpropyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770656
3-[[6-(methylamino)pyrazin-2-yl]-(2-methylpropyl)amino]propanenitrile
CID 80812725
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-(2-methylpropyl)amino]propanenitrile
CID 102761879

Frequently Asked Questions

What is the IUPAC name of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The IUPAC name of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile (CID 106775569) is 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile.
What is the SMILES notation for 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The canonical SMILES for 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile is CC(C)CN(CCC#N)c1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
The InChIKey is KJIMIRBJKDSZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N6/c1-8(2)7-21(5-3-4-16)10-6-9(20-17)18-11(19-10)12(13,14)15/h6,8H,3,5,7,17H2,1-2H3,(H,18,19,20).
What are the key properties of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile?
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile has a molecular weight of 302.30 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-(2-methylpropyl)amino]propanenitrile is sourced from PubChem (CID 106775569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).