1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

C12H19F3N6 — CID 106775658

IUPAC1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N6/c1-20(2)7-8-4-3-5-21(8)10-6-9(19-16)17-11(18-10)12(13,14)15/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19)
InChIKeyWZGOFKKPKDMVRG-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.31
Rot. Bonds4

About 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine

1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 106775658) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID106775658
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C12H19F3N6/c1-20(2)7-8-4-3-5-21(8)10-6-9(19-16)17-11(18-10)12(13,14)15/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19)
InChIKeyWZGOFKKPKDMVRG-UHFFFAOYSA-N
XLogP1.31
TPSA70.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.31
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

1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 114567195
[2-tert-butyl-6-(2-ethylpyrrolidin-1-yl)pyrimidin-4-yl]hydrazine
CID 80964981
6-(2-ethylpyrrolidin-1-yl)-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770980
[1-[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]piperidin-2-yl]methanol
CID 106771022
1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]piperidine-2-carboxamide
CID 106775529
3-[1-(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80964573
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
2-chloro-6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyridine-4-carbonitrile
CID 83076830
[6-(2-propylpiperidin-1-yl)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721064
[6-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106775519
[1-[6-hydrazinyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-2-yl]methanol
CID 102720517

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 106775658) is 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is WZGOFKKPKDMVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-20(2)7-8-4-3-5-21(8)10-6-9(19-16)17-11(18-10)12(13,14)15/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine has a molecular weight of 304.32 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 106775658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).