1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

C14H11F3N4O5 — CID 20707576

IUPAC1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON1C(=O)COc2ccc(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)cc21
InChIInChI=1S/C14H11F3N4O5/c1-25-21-8-4-7(2-3-9(8)26-6-12(21)23)19-11(22)5-10(14(15,16)17)20(18)13(19)24/h2-5H,6,18H2,1H3
InChIKeyBAEAKQNPIWNZKG-UHFFFAOYSA-N
MW372.26 g/mol
LogP0.02
Rot. Bonds2

About 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione

1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione (PubChem CID 20707576) has the molecular formula C14H11F3N4O5 and a molecular weight of 372.26 g/mol. Its IUPAC name is 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
PubChem CID20707576
Molecular FormulaC14H11F3N4O5
Molecular Weight372.26 g/mol
Exact Mass372.07
IUPAC Name1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione
SMILESCON1C(=O)COc2ccc(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)cc21
InChIInChI=1S/C14H11F3N4O5/c1-25-21-8-4-7(2-3-9(8)26-6-12(21)23)19-11(22)5-10(14(15,16)17)20(18)13(19)24/h2-5H,6,18H2,1H3
InChIKeyBAEAKQNPIWNZKG-UHFFFAOYSA-N
XLogP0.02
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.26
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione (CID 20707576) is 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione is CON1C(=O)COc2ccc(-n3c(=O)cc(C(F)(F)F)n(N)c3=O)cc21.
What is the InChIKey of 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
The InChIKey is BAEAKQNPIWNZKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O5/c1-25-21-8-4-7(2-3-9(8)26-6-12(21)23)19-11(22)5-10(14(15,16)17)20(18)13(19)24/h2-5H,6,18H2,1H3.
What are the key properties of 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione?
1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione has a molecular weight of 372.26 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-(trifluoromethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 20707576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).