6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine

C10H16F3N5OS — CID 106776163

IUPAC6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(CCNc1cc(NN)nc(C(F)(F)F)n1)S(C)=O
InChIInChI=1S/C10H16F3N5OS/c1-6(20(2)19)3-4-15-7-5-8(18-14)17-9(16-7)10(11,12)13/h5-6H,3-4,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyFIZKRYLXBLBBJK-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.35
Rot. Bonds6

About 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106776163) has the molecular formula C10H16F3N5OS and a molecular weight of 311.33 g/mol. Its IUPAC name is 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106776163
Molecular FormulaC10H16F3N5OS
Molecular Weight311.33 g/mol
Exact Mass311.10
IUPAC Name6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(CCNc1cc(NN)nc(C(F)(F)F)n1)S(C)=O
InChIInChI=1S/C10H16F3N5OS/c1-6(20(2)19)3-4-15-7-5-8(18-14)17-9(16-7)10(11,12)13/h5-6H,3-4,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyFIZKRYLXBLBBJK-UHFFFAOYSA-N
XLogP1.35
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

6-chloro-N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 102716198
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
N-(3-methylsulfinylbutyl)-4-(trifluoromethyl)pyridin-2-amine
CID 115715774
4-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]butan-2-ol
CID 80968241
N-ethyl-2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]ethanesulfonamide
CID 106341116
N-[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 106775656
6-N-ethyl-4-N-(2-methylsulfinylethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106773050
6-hydrazinyl-N-(2,2,3,3-tetrafluoropropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106294493
4-N-pentan-2-yl-6-N-propyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106770408
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
6-hydrazinyl-2-methyl-N-(3-methylbutyl)pyrimidin-4-amine
CID 80932318
6-hydrazinyl-2-(trifluoromethyl)-N-(2,4,4-trimethylpentan-2-yl)pyrimidin-4-amine
CID 106775571

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine (CID 106776163) is 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine is CC(CCNc1cc(NN)nc(C(F)(F)F)n1)S(C)=O.
What is the InChIKey of 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FIZKRYLXBLBBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5OS/c1-6(20(2)19)3-4-15-7-5-8(18-14)17-9(16-7)10(11,12)13/h5-6H,3-4,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 311.33 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(3-methylsulfinylbutyl)-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106776163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).