6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

C11H13F3N6O — CID 106390451

IUPAC6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2cc(NN)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H13F3N6O/c1-5-4-16-9(21-5)6(2)17-7-3-8(20-15)19-10(18-7)11(12,13)14/h3-4,6H,15H2,1-2H3,(H2,17,18,19,20)
InChIKeyFBFRTNXRJKSCOT-UHFFFAOYSA-N
MW302.26 g/mol
LogP2.25
Rot. Bonds4

About 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine

6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106390451) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106390451
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC Name6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cnc(C(C)Nc2cc(NN)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C11H13F3N6O/c1-5-4-16-9(21-5)6(2)17-7-3-8(20-15)19-10(18-7)11(12,13)14/h3-4,6H,15H2,1-2H3,(H2,17,18,19,20)
InChIKeyFBFRTNXRJKSCOT-UHFFFAOYSA-N
XLogP2.25
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 52.25
H-Bond Donors ≤ 53
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 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106390451) is 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cnc(C(C)Nc2cc(NN)nc(C(F)(F)F)n2)o1.
What is the InChIKey of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is FBFRTNXRJKSCOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-5-4-16-9(21-5)6(2)17-7-3-8(20-15)19-10(18-7)11(12,13)14/h3-4,6H,15H2,1-2H3,(H2,17,18,19,20).
What are the key properties of 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.26 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106390451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).