2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide

C20H15F4N5O — CID 142125600

IUPAC2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide
SMILESN/C(=N\c1nc(-c2ccccc2C(F)(F)F)nc2c1OCC2)c1cc(F)ccc1N
InChIInChI=1S/C20H15F4N5O/c21-10-5-6-14(25)12(9-10)17(26)28-19-16-15(7-8-30-16)27-18(29-19)11-3-1-2-4-13(11)20(22,23)24/h1-6,9H,7-8,25H2,(H2,26,27,28,29)
InChIKeyBVWAGGGCMXEVRL-UHFFFAOYSA-N
MW417.37 g/mol
LogP3.86
Rot. Bonds3

About 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide

2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide (PubChem CID 142125600) has the molecular formula C20H15F4N5O and a molecular weight of 417.37 g/mol. Its IUPAC name is 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide
PubChem CID142125600
Molecular FormulaC20H15F4N5O
Molecular Weight417.37 g/mol
Exact Mass417.12
IUPAC Name2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide
SMILESN/C(=N\c1nc(-c2ccccc2C(F)(F)F)nc2c1OCC2)c1cc(F)ccc1N
InChIInChI=1S/C20H15F4N5O/c21-10-5-6-14(25)12(9-10)17(26)28-19-16-15(7-8-30-16)27-18(29-19)11-3-1-2-4-13(11)20(22,23)24/h1-6,9H,7-8,25H2,(H2,26,27,28,29)
InChIKeyBVWAGGGCMXEVRL-UHFFFAOYSA-N
XLogP3.86
TPSA99.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.37
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide?
The IUPAC name of 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide (CID 142125600) is 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide.
What is the SMILES notation for 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide?
The canonical SMILES for 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide is N/C(=N\c1nc(-c2ccccc2C(F)(F)F)nc2c1OCC2)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide?
The InChIKey is BVWAGGGCMXEVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4N5O/c21-10-5-6-14(25)12(9-10)17(26)28-19-16-15(7-8-30-16)27-18(29-19)11-3-1-2-4-13(11)20(22,23)24/h1-6,9H,7-8,25H2,(H2,26,27,28,29).
What are the key properties of 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide?
2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide has a molecular weight of 417.37 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-N'-[2-[2-(trifluoromethyl)phenyl]-6,7-dihydrofuro[3,2-d]pyrimidin-4-yl]benzenecarboximidamide is sourced from PubChem (CID 142125600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).