4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

C9H8F3N7OS — CID 136955868

IUPAC4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESNNc1nc(Sc2nc(N)cc(=O)[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N7OS/c10-9(11,12)3-1-6(18-7(15-3)19-14)21-8-16-4(13)2-5(20)17-8/h1-2H,14H2,(H,15,18,19)(H3,13,16,17,20)
InChIKeyIKJDVQXUOWTKBM-UHFFFAOYSA-N
MW319.27 g/mol
LogP0.60
Rot. Bonds3

About 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one

4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (PubChem CID 136955868) has the molecular formula C9H8F3N7OS and a molecular weight of 319.27 g/mol. Its IUPAC name is 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
PubChem CID136955868
Molecular FormulaC9H8F3N7OS
Molecular Weight319.27 g/mol
Exact Mass319.05
IUPAC Name4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
SMILESNNc1nc(Sc2nc(N)cc(=O)[nH]2)cc(C(F)(F)F)n1
InChIInChI=1S/C9H8F3N7OS/c10-9(11,12)3-1-6(18-7(15-3)19-14)21-8-16-4(13)2-5(20)17-8/h1-2H,14H2,(H,15,18,19)(H3,13,16,17,20)
InChIKeyIKJDVQXUOWTKBM-UHFFFAOYSA-N
XLogP0.60
TPSA135.60 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.27
LogP ≤ 50.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one 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

[4-(4-fluorophenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567844
2-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one
CID 114566668
4-amino-2-(6-bromo-2-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 137010439
[4-(2,5-dimethylphenyl)sulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567852
[4-propylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]hydrazine
CID 114567865
2-(2-hydrazinyl-6-methylpyrimidin-4-yl)sulfanyl-1H-pyrimidin-6-one
CID 80925407
5-amino-2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]pyridine-4-carboxamide
CID 136948162
4-amino-2-(2-amino-5-chloro-4-fluorophenyl)sulfanyl-1H-pyrimidin-6-one
CID 136731401
2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]-1,1-dimethylhydrazine
CID 114567551
4-amino-2-[3-(aminomethyl)-5-fluorophenyl]sulfanyl-1H-pyrimidin-6-one
CID 136955856
3-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-one
CID 114566815
4-(1H-1,2,4-triazol-5-ylsulfanyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566720

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one (CID 136955868) is 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is NNc1nc(Sc2nc(N)cc(=O)[nH]2)cc(C(F)(F)F)n1.
What is the InChIKey of 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
The InChIKey is IKJDVQXUOWTKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N7OS/c10-9(11,12)3-1-6(18-7(15-3)19-14)21-8-16-4(13)2-5(20)17-8/h1-2H,14H2,(H,15,18,19)(H3,13,16,17,20).
What are the key properties of 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one?
4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one has a molecular weight of 319.27 g/mol, XLogP of 0.60, 3 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]sulfanyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136955868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).