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

C12H19F3N6 — CID 114567195

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

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

1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (PubChem CID 114567195) has the molecular formula C12H19F3N6 and a molecular weight of 304.32 g/mol. Its IUPAC name is 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
PubChem CID114567195
Molecular FormulaC12H19F3N6
Molecular Weight304.32 g/mol
Exact Mass304.16
IUPAC Name1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCCN1c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H19F3N6/c1-20(2)7-8-4-3-5-21(8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19)
InChIKeyRFBGHNKPXNDPCS-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 106775658
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,6-dimethylpyrimidin-2-amine
CID 80825077
[4-(3-methoxypiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 102972022
4-(2-ethylpiperidin-1-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563976
[4-(5-ethyl-2-methylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567020
[4-(3-ethyl-4-methylpiperazin-1-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567233
1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]ethanol
CID 106839962
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]pyrimidin-2-amine
CID 80824837
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N,2-diethylpyrimidin-4-amine
CID 80934977
[4-(2,6-dimethylmorpholin-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567450

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine (CID 114567195) is 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is CN(C)CC1CCCN1c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
The InChIKey is RFBGHNKPXNDPCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N6/c1-20(2)7-8-4-3-5-21(8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,3-5,7,16H2,1-2H3,(H,17,18,19).
What are the key properties of 1-[1-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine?
1-[1-[2-hydrazinyl-6-(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-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-2-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 114567195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).