5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione

C23H19F3N4O4 — CID 123351776

About 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione

5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione (PubChem CID 123351776) has the molecular formula C23H19F3N4O4 and a molecular weight of 472.42 g/mol. Its IUPAC name is 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione
• PubChem CID: 123351776
• Molecular Formula: C23H19F3N4O4
• Molecular Weight: 472.42 g/mol
• Exact Mass: 472.14
• IUPAC Name: 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione
• SMILES: CNc1cn(-c2ccc3c(c2)oc(=O)n3C)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O
• InChI: InChI=1S/C23H19F3N4O4/c1-27-16-11-29(12-6-8-18-19(10-12)34-22(33)28(18)2)21(32)30(20(16)31)17-9-7-13-14(17)4-3-5-15(13)23(24,25)26/h3-6,8,10-11,17,27H,7,9H2,1-2H3
• InChIKey: DLKBGCFLPOEWJX-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 91.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.42
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

The IUPAC name of 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione (CID 123351776) is 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione.

What is the SMILES notation for 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

The canonical SMILES for 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione is CNc1cn(-c2ccc3c(c2)oc(=O)n3C)c(=O)n(C2CCc3c2cccc3C(F)(F)F)c1=O.

What is the InChIKey of 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

The InChIKey is DLKBGCFLPOEWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O4/c1-27-16-11-29(12-6-8-18-19(10-12)34-22(33)28(18)2)21(32)30(20(16)31)17-9-7-13-14(17)4-3-5-15(13)23(24,25)26/h3-6,8,10-11,17,27H,7,9H2,1-2H3.

What are the key properties of 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione?

5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione has a molecular weight of 472.42 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(methylamino)-1-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-3-[4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 123351776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).