5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione

C26H25F4N3O2 — CID 24757963

IUPAC5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
SMILESCc1cc(F)ccc1-c1cn(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C26H25F4N3O2/c1-16-11-20(27)7-8-21(16)22-14-33(24(35)31-23(22)34)10-2-9-32-13-19-12-25(19,15-32)17-3-5-18(6-4-17)26(28,29)30/h3-8,11,14,19H,2,9-10,12-13,15H2,1H3,(H,31,34,35)/t19-,25+/m0/s1
InChIKeyGBIQHULSGPSEBR-UQBPGWFLSA-N
MW487.50 g/mol
LogP4.33
Rot. Bonds6

About 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione

5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione (PubChem CID 24757963) has the molecular formula C26H25F4N3O2 and a molecular weight of 487.50 g/mol. Its IUPAC name is 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
PubChem CID24757963
Molecular FormulaC26H25F4N3O2
Molecular Weight487.50 g/mol
Exact Mass487.19
IUPAC Name5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione
SMILESCc1cc(F)ccc1-c1cn(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O
InChIInChI=1S/C26H25F4N3O2/c1-16-11-20(27)7-8-21(16)22-14-33(24(35)31-23(22)34)10-2-9-32-13-19-12-25(19,15-32)17-3-5-18(6-4-17)26(28,29)30/h3-8,11,14,19H,2,9-10,12-13,15H2,1H3,(H,31,34,35)/t19-,25+/m0/s1
InChIKeyGBIQHULSGPSEBR-UQBPGWFLSA-N
XLogP4.33
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione?
The IUPAC name of 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione (CID 24757963) is 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione is Cc1cc(F)ccc1-c1cn(CCCN2C[C@@H]3C[C@]3(c3ccc(C(F)(F)F)cc3)C2)c(=O)[nH]c1=O.
What is the InChIKey of 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione?
The InChIKey is GBIQHULSGPSEBR-UQBPGWFLSA-N. The full InChI is InChI=1S/C26H25F4N3O2/c1-16-11-20(27)7-8-21(16)22-14-33(24(35)31-23(22)34)10-2-9-32-13-19-12-25(19,15-32)17-3-5-18(6-4-17)26(28,29)30/h3-8,11,14,19H,2,9-10,12-13,15H2,1H3,(H,31,34,35)/t19-,25+/m0/s1.
What are the key properties of 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione?
5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione has a molecular weight of 487.50 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoro-2-methylphenyl)-1-[3-[(1S,5R)-1-[4-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexan-3-yl]propyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24757963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).