8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

C11H6F3N3O — CID 142710269

IUPAC8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1ncc2oc3ccc(C(F)(F)F)cc3c2n1
InChIInChI=1S/C11H6F3N3O/c12-11(13,14)5-1-2-7-6(3-5)9-8(18-7)4-16-10(15)17-9/h1-4H,(H2,15,16,17)
InChIKeyKZFFTBRYTOQUPU-UHFFFAOYSA-N
MW253.18 g/mol
LogP2.98
Rot. Bonds

About 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 142710269) has the molecular formula C11H6F3N3O and a molecular weight of 253.18 g/mol. Its IUPAC name is 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID142710269
Molecular FormulaC11H6F3N3O
Molecular Weight253.18 g/mol
Exact Mass253.05
IUPAC Name8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESNc1ncc2oc3ccc(C(F)(F)F)cc3c2n1
InChIInChI=1S/C11H6F3N3O/c12-11(13,14)5-1-2-7-6(3-5)9-8(18-7)4-16-10(15)17-9/h1-4H,(H2,15,16,17)
InChIKeyKZFFTBRYTOQUPU-UHFFFAOYSA-N
XLogP2.98
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.18
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(trifluoromethyl)quinazolin-2-amine
CID 10584686
8-methyl-3-(trifluoromethyl)-[1]benzofuro[3,2-b]pyridine
CID 143777651
8-(trifluoromethyl)-[1]benzothiolo[3,2-d]pyrimidin-4-amine
CID 154276626
5-(trifluoromethyl)pyrimidin-2-amine
CID 15273574
7-(trifluoromethyl)pyrido[3,2-d]pyrimidin-2-amine
CID 150983052
5-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 10610924
6-(trifluoromethyl)-1,4-benzoxazin-2-one
CID 154423234
5-[2-methyl-4-(trifluoromethyl)phenyl]pyrimidin-2-amine
CID 102755489
7-fluoro-19-(trifluoromethyl)-3,15-dioxahexacyclo[11.11.0.02,10.04,9.014,22.016,21]tetracosa-1(13),2(10),4(9),5,7,11,14(22),16(21),17,19,23-undecaene
CID 70938417
2-N-[2-chloro-5-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 2735891
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
7-(trifluoromethyl)quinolin-3-amine
CID 22326826

Frequently Asked Questions

What is the IUPAC name of 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 142710269) is 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is Nc1ncc2oc3ccc(C(F)(F)F)cc3c2n1.
What is the InChIKey of 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is KZFFTBRYTOQUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F3N3O/c12-11(13,14)5-1-2-7-6(3-5)9-8(18-7)4-16-10(15)17-9/h1-4H,(H2,15,16,17).
What are the key properties of 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 253.18 g/mol, XLogP of 2.98, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(trifluoromethyl)-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 142710269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).