6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H16F3N5O — CID 106776198

IUPAC6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(NN)nc(C(F)(F)F)n1)C1CCOC1
InChIInChI=1S/C11H16F3N5O/c1-6(7-2-3-20-5-7)16-8-4-9(19-15)18-10(17-8)11(12,13)14/h4,6-7H,2-3,5,15H2,1H3,(H2,16,17,18,19)
InChIKeyZBFNVWNIAAEUBJ-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.62
Rot. Bonds4

About 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106776198) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106776198
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCC(Nc1cc(NN)nc(C(F)(F)F)n1)C1CCOC1
InChIInChI=1S/C11H16F3N5O/c1-6(7-2-3-20-5-7)16-8-4-9(19-15)18-10(17-8)11(12,13)14/h4,6-7H,2-3,5,15H2,1H3,(H2,16,17,18,19)
InChIKeyZBFNVWNIAAEUBJ-UHFFFAOYSA-N
XLogP1.62
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.62
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

4-N-(1-cyclopentylethyl)-6-N-methyl-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772128
6-chloro-2-methyl-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115658056
N-(3-ethylpentan-2-yl)-6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775723
6-hydrazinyl-N-(oxolan-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80968703
2-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
CID 106775480
2-chloro-N-[1-(oxolan-3-yl)ethyl]pyrimidin-4-amine
CID 115695408
6-hydrazinyl-N-(2-methylcyclopropyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775639
N-(1-cyclohexylethyl)-2-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80936916
5-methyl-N-[1-(oxan-4-yl)ethyl]-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133366229
6-N-(1-cyclopropylethyl)-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717537
3-[[6-hydrazinyl-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylsulfanylbutan-1-ol
CID 106163726
6-N-methyl-4-N-(oxolan-3-ylmethyl)-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771800

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106776198) is 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is CC(Nc1cc(NN)nc(C(F)(F)F)n1)C1CCOC1.
What is the InChIKey of 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is ZBFNVWNIAAEUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-6(7-2-3-20-5-7)16-8-4-9(19-15)18-10(17-8)11(12,13)14/h4,6-7H,2-3,5,15H2,1H3,(H2,16,17,18,19).
What are the key properties of 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 291.28 g/mol, XLogP of 1.62, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[1-(oxolan-3-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106776198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).