7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine

C28H28F2N4O — CID 147372275

IUPAC7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc5ccc(N(C)C)cc5c4)ncc3F)cc21
InChIInChI=1S/C28H28F2N4O/c1-17(2)34-9-10-35-28-23(29)14-21(15-25(28)34)27-24(30)16-31-26(32-27)12-18-5-6-19-7-8-22(33(3)4)13-20(19)11-18/h5-8,11,13-17H,9-10,12H2,1-4H3
InChIKeyDJIGCZXEDXNBLZ-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.84
Rot. Bonds5

About 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine

7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine (PubChem CID 147372275) has the molecular formula C28H28F2N4O and a molecular weight of 474.56 g/mol. Its IUPAC name is 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine.

Molecular Properties

Compound Name7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine
PubChem CID147372275
Molecular FormulaC28H28F2N4O
Molecular Weight474.56 g/mol
Exact Mass474.22
IUPAC Name7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine
SMILESCC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc5ccc(N(C)C)cc5c4)ncc3F)cc21
InChIInChI=1S/C28H28F2N4O/c1-17(2)34-9-10-35-28-23(29)14-21(15-25(28)34)27-24(30)16-31-26(32-27)12-18-5-6-19-7-8-22(33(3)4)13-20(19)11-18/h5-8,11,13-17H,9-10,12H2,1-4H3
InChIKeyDJIGCZXEDXNBLZ-UHFFFAOYSA-N
XLogP5.84
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-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

Frequently Asked Questions

What is the IUPAC name of 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine?
The IUPAC name of 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine (CID 147372275) is 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine.
What is the SMILES notation for 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine?
The canonical SMILES for 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine is CC(C)N1CCOc2c(F)cc(-c3nc(Cc4ccc5ccc(N(C)C)cc5c4)ncc3F)cc21.
What is the InChIKey of 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine?
The InChIKey is DJIGCZXEDXNBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F2N4O/c1-17(2)34-9-10-35-28-23(29)14-21(15-25(28)34)27-24(30)16-31-26(32-27)12-18-5-6-19-7-8-22(33(3)4)13-20(19)11-18/h5-8,11,13-17H,9-10,12H2,1-4H3.
What are the key properties of 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine?
7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine has a molecular weight of 474.56 g/mol, XLogP of 5.84, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[5-fluoro-4-(8-fluoro-4-propan-2-yl-2,3-dihydro-1,4-benzoxazin-6-yl)pyrimidin-2-yl]methyl]-N,N-dimethylnaphthalen-2-amine is sourced from PubChem (CID 147372275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).