7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one

C12H6F3N3O — CID 169095250

IUPAC7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
SMILESNc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)11-17-4-8-6-2-1-5(16)3-7(6)10(19)9(8)18-11/h1-4H,16H2
InChIKeyQYFCLBDURKNSPD-UHFFFAOYSA-N
MW265.19 g/mol
LogP2.29
Rot. Bonds

About 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one

7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one (PubChem CID 169095250) has the molecular formula C12H6F3N3O and a molecular weight of 265.19 g/mol. Its IUPAC name is 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one.

Molecular Properties

Compound Name7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
PubChem CID169095250
Molecular FormulaC12H6F3N3O
Molecular Weight265.19 g/mol
Exact Mass265.05
IUPAC Name7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one
SMILESNc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2
InChIInChI=1S/C12H6F3N3O/c13-12(14,15)11-17-4-8-6-2-1-5(16)3-7(6)10(19)9(8)18-11/h1-4H,16H2
InChIKeyQYFCLBDURKNSPD-UHFFFAOYSA-N
XLogP2.29
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The IUPAC name of 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one (CID 169095250) is 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one.
What is the SMILES notation for 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The canonical SMILES for 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one is Nc1ccc2c(c1)C(=O)c1nc(C(F)(F)F)ncc1-2.
What is the InChIKey of 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
The InChIKey is QYFCLBDURKNSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F3N3O/c13-12(14,15)11-17-4-8-6-2-1-5(16)3-7(6)10(19)9(8)18-11/h1-4H,16H2.
What are the key properties of 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one?
7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one has a molecular weight of 265.19 g/mol, XLogP of 2.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-(trifluoromethyl)indeno[2,1-d]pyrimidin-9-one is sourced from PubChem (CID 169095250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).