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

C11H13F3N6O — CID 106378949

IUPACN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cnc(CNc2cc(C(F)(F)F)nc(NN)n2)o1
InChIInChI=1S/C11H13F3N6O/c1-2-6-4-17-9(21-6)5-16-8-3-7(11(12,13)14)18-10(19-8)20-15/h3-4H,2,5,15H2,1H3,(H2,16,18,19,20)
InChIKeyLEMFGJIFTWVYSA-UHFFFAOYSA-N
MW302.26 g/mol
LogP1.94
Rot. Bonds5

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

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106378949) has the molecular formula C11H13F3N6O and a molecular weight of 302.26 g/mol. Its IUPAC name is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106378949
Molecular FormulaC11H13F3N6O
Molecular Weight302.26 g/mol
Exact Mass302.11
IUPAC NameN-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESCCc1cnc(CNc2cc(C(F)(F)F)nc(NN)n2)o1
InChIInChI=1S/C11H13F3N6O/c1-2-6-4-17-9(21-6)5-16-8-3-7(11(12,13)14)18-10(19-8)20-15/h3-4H,2,5,15H2,1H3,(H2,16,18,19,20)
InChIKeyLEMFGJIFTWVYSA-UHFFFAOYSA-N
XLogP1.94
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 51.94
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 N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine (CID 106378949) is N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is CCc1cnc(CNc2cc(C(F)(F)F)nc(NN)n2)o1.
What is the InChIKey of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is LEMFGJIFTWVYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N6O/c1-2-6-4-17-9(21-6)5-16-8-3-7(11(12,13)14)18-10(19-8)20-15/h3-4H,2,5,15H2,1H3,(H2,16,18,19,20).
What are the key properties of N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 302.26 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106378949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).