2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

C6H3F3N4O — CID 82396769

IUPAC2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2oc(C(F)(F)F)nc12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H2,10,11,12)
InChIKeyACYMROLATUKMSA-UHFFFAOYSA-N
MW204.11 g/mol
LogP1.22
Rot. Bonds

About 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine

2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (PubChem CID 82396769) has the molecular formula C6H3F3N4O and a molecular weight of 204.11 g/mol. Its IUPAC name is 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
PubChem CID82396769
Molecular FormulaC6H3F3N4O
Molecular Weight204.11 g/mol
Exact Mass204.03
IUPAC Name2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine
SMILESNc1ncnc2oc(C(F)(F)F)nc12
InChIInChI=1S/C6H3F3N4O/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H2,10,11,12)
InChIKeyACYMROLATUKMSA-UHFFFAOYSA-N
XLogP1.22
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.11
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The IUPAC name of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine (CID 82396769) is 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The canonical SMILES for 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is Nc1ncnc2oc(C(F)(F)F)nc12.
What is the InChIKey of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
The InChIKey is ACYMROLATUKMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F3N4O/c7-6(8,9)5-13-2-3(10)11-1-12-4(2)14-5/h1H,(H2,10,11,12).
What are the key properties of 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine?
2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine has a molecular weight of 204.11 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-[1,3]oxazolo[5,4-d]pyrimidin-7-amine is sourced from PubChem (CID 82396769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).