N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

C10H14F3N5O2S — CID 114566985

IUPACN-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)nc(NN)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H14F3N5O2S/c1-18(6-2-3-21(19,20)5-6)8-4-7(10(11,12)13)15-9(16-8)17-14/h4,6H,2-3,5,14H2,1H3,(H,15,16,17)
InChIKeyWSLNRAOANMLWRJ-UHFFFAOYSA-N
MW325.32 g/mol
LogP0.40
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine

N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 114566985) has the molecular formula C10H14F3N5O2S and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID114566985
Molecular FormulaC10H14F3N5O2S
Molecular Weight325.32 g/mol
Exact Mass325.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(C(F)(F)F)nc(NN)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H14F3N5O2S/c1-18(6-2-3-21(19,20)5-6)8-4-7(10(11,12)13)15-9(16-8)17-14/h4,6H,2-3,5,14H2,1H3,(H,15,16,17)
InChIKeyWSLNRAOANMLWRJ-UHFFFAOYSA-N
XLogP0.40
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

4-N-(1,1-dioxothiolan-3-yl)-2-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564216
N-cycloheptyl-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114566983
4-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-4-N-methylpyrimidine-2,4-diamine
CID 80898949
2-cyclopropyl-N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methylpyrimidin-4-amine
CID 80964070
2-N,4-N-bis(1,1-dioxothiolan-3-yl)-2-N,4-N,6-trimethylpyrimidine-2,4-diamine
CID 112921910
N-(4-fluorophenyl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567157
2-N,4-N-dimethyl-4-N-(oxan-4-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564203
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
2-N-[4-(dimethylamino)phenyl]-4-N-(1,1-dioxothiolan-3-yl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 112921983
N-[4-[[4-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112921979
2-hydrazinyl-N-methyl-N-(oxan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114567025

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 114566985) is N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is CN(c1cc(C(F)(F)F)nc(NN)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is WSLNRAOANMLWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2S/c1-18(6-2-3-21(19,20)5-6)8-4-7(10(11,12)13)15-9(16-8)17-14/h4,6H,2-3,5,14H2,1H3,(H,15,16,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 325.32 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2-hydrazinyl-N-methyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 114566985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).