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

C10H11F3N6O — CID 106379017

IUPAC6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(NN)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H11F3N6O/c1-5-3-16-8(20-5)4-15-6-2-7(19-14)18-9(17-6)10(11,12)13/h2-3H,4,14H2,1H3,(H2,15,17,18,19)
InChIKeyCBTNRONRQDOECQ-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.69
Rot. Bonds4

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

6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 106379017) has the molecular formula C10H11F3N6O and a molecular weight of 288.23 g/mol. Its IUPAC name is 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
PubChem CID106379017
Molecular FormulaC10H11F3N6O
Molecular Weight288.23 g/mol
Exact Mass288.09
IUPAC Name6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine
SMILESCc1cnc(CNc2cc(NN)nc(C(F)(F)F)n2)o1
InChIInChI=1S/C10H11F3N6O/c1-5-3-16-8(20-5)4-15-6-2-7(19-14)18-9(17-6)10(11,12)13/h2-3H,4,14H2,1H3,(H2,15,17,18,19)
InChIKeyCBTNRONRQDOECQ-UHFFFAOYSA-N
XLogP1.69
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.69
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-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine (CID 106379017) is 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is Cc1cnc(CNc2cc(NN)nc(C(F)(F)F)n2)o1.
What is the InChIKey of 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is CBTNRONRQDOECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N6O/c1-5-3-16-8(20-5)4-15-6-2-7(19-14)18-9(17-6)10(11,12)13/h2-3H,4,14H2,1H3,(H2,15,17,18,19).
What are the key properties of 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine?
6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 288.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 106379017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).