2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

C12H18F3N5O — CID 114567025

IUPAC2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCCCO1)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H18F3N5O/c1-20(7-8-4-2-3-5-21-8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyGUXCJTMCWAFOKM-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.79
Rot. Bonds4

About 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine

2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114567025) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114567025
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(CC1CCCCO1)c1cc(C(F)(F)F)nc(NN)n1
InChIInChI=1S/C12H18F3N5O/c1-20(7-8-4-2-3-5-21-8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,2-5,7,16H2,1H3,(H,17,18,19)
InChIKeyGUXCJTMCWAFOKM-UHFFFAOYSA-N
XLogP1.79
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.79
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 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine 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

N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
2-ethyl-6-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80937281
[4-(oxolan-2-ylmethylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 106498029
N-methyl-N-(oxan-2-ylmethyl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 133271752
6-N-cyclopropyl-4-N-methyl-4-N-(oxan-2-ylmethyl)pyrimidine-2,4,6-triamine
CID 50953322
4-N,6-dimethyl-4-N-(oxan-2-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 80796286
1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-methylamino]propan-2-ol
CID 114567175
N-methyl-N-[[(2S)-oxan-2-yl]methyl]-5-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 95580694
4-N,6-dimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 78928250
N-butyl-N-cyclopropyl-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567034
N-cyclopropyl-2-hydrazinyl-N-(2-methylpropyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567101
6-hydrazinyl-N-methyl-N-(oxolan-2-ylmethyl)pyrazin-2-amine
CID 80896092

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine (CID 114567025) is 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is CN(CC1CCCCO1)c1cc(C(F)(F)F)nc(NN)n1.
What is the InChIKey of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is GUXCJTMCWAFOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-20(7-8-4-2-3-5-21-8)10-6-9(12(13,14)15)17-11(18-10)19-16/h6,8H,2-5,7,16H2,1H3,(H,17,18,19).
What are the key properties of 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine?
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 305.30 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114567025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).