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

C10H14F3N5O2S — CID 106775396

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

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

N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106775396) has the molecular formula C10H14F3N5O2S and a molecular weight of 325.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106775396
Molecular FormulaC10H14F3N5O2S
Molecular Weight325.32 g/mol
Exact Mass325.08
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCN(c1cc(NN)nc(C(F)(F)F)n1)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H14F3N5O2S/c1-18(6-2-3-21(19,20)5-6)8-4-7(17-14)15-9(16-8)10(11,12)13/h4,6H,2-3,5,14H2,1H3,(H,15,16,17)
InChIKeyBQMYQQRRIFKPLV-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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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine (CID 106775396) is N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is CN(c1cc(NN)nc(C(F)(F)F)n1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is BQMYQQRRIFKPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O2S/c1-18(6-2-3-21(19,20)5-6)8-4-7(17-14)15-9(16-8)10(11,12)13/h4,6H,2-3,5,14H2,1H3,(H,15,16,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine?
N-(1,1-dioxothiolan-3-yl)-6-hydrazinyl-N-methyl-2-(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)-6-hydrazinyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106775396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).