3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

C10H16F3N5OS — CID 106163726

IUPAC3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5OS/c1-5(6(4-19)20-2)15-7-3-8(18-14)17-9(16-7)10(11,12)13/h3,5-6,19H,4,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMEIAHYTUASDHEP-UHFFFAOYSA-N
MW311.33 g/mol
LogP1.31
Rot. Bonds6

About 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol

3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (PubChem CID 106163726) has the molecular formula C10H16F3N5OS and a molecular weight of 311.33 g/mol. Its IUPAC name is 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.

Molecular Properties

Compound Name3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
PubChem CID106163726
Molecular FormulaC10H16F3N5OS
Molecular Weight311.33 g/mol
Exact Mass311.10
IUPAC Name3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
SMILESCSC(CO)C(C)Nc1cc(NN)nc(C(F)(F)F)n1
InChIInChI=1S/C10H16F3N5OS/c1-5(6(4-19)20-2)15-7-3-8(18-14)17-9(16-7)10(11,12)13/h3,5-6,19H,4,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyMEIAHYTUASDHEP-UHFFFAOYSA-N
XLogP1.31
TPSA96.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 51.31
H-Bond Donors ≤ 54
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

3-[(6-hydrazinyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 106163695
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
3-[(2,6-dimethylpyrimidin-4-yl)amino]-2-methylsulfanylbutan-1-ol
CID 103819994
2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 106775480
2-[(6-hydrazinyl-2-methylsulfanylpyrimidin-4-yl)amino]propan-1-ol
CID 80907395
2-chloro-6-[(4-hydroxy-3-methylsulfanylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 114152086
[6-propan-2-ylsulfanyl-2-(trifluoromethyl)pyrimidin-4-yl]hydrazine
CID 106776574
(2S)-2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80968489
3-[4-amino-2-(trifluoromethyl)anilino]-2-methylsulfanylbutan-1-ol
CID 106155075
3-[[5-amino-6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]amino]-2-methylsulfanylbutan-1-ol
CID 106155064
6-hydrazinyl-N-(3-methylsulfanylpropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775730
4-N-(3-methylbutan-2-yl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106769922

Frequently Asked Questions

What is the IUPAC name of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The IUPAC name of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol (CID 106163726) is 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol.
What is the SMILES notation for 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The canonical SMILES for 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is CSC(CO)C(C)Nc1cc(NN)nc(C(F)(F)F)n1.
What is the InChIKey of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
The InChIKey is MEIAHYTUASDHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N5OS/c1-5(6(4-19)20-2)15-7-3-8(18-14)17-9(16-7)10(11,12)13/h3,5-6,19H,4,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol?
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol has a molecular weight of 311.33 g/mol, XLogP of 1.31, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol is sourced from PubChem (CID 106163726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).