1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione

C14H13FN4O5 — CID 20707584

IUPAC1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione
SMILESCON1C(=O)COc2cc(F)c(-n3c(=O)cc(C)n(N)c3=O)cc21
InChIInChI=1S/C14H13FN4O5/c1-7-3-12(20)17(14(22)18(7)16)9-5-10-11(4-8(9)15)24-6-13(21)19(10)23-2/h3-5H,6,16H2,1-2H3
InChIKeyFYZINQHVSDCCQY-UHFFFAOYSA-N
MW336.28 g/mol
LogP-0.55
Rot. Bonds2

About 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione

1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione (PubChem CID 20707584) has the molecular formula C14H13FN4O5 and a molecular weight of 336.28 g/mol. Its IUPAC name is 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione
PubChem CID20707584
Molecular FormulaC14H13FN4O5
Molecular Weight336.28 g/mol
Exact Mass336.09
IUPAC Name1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione
SMILESCON1C(=O)COc2cc(F)c(-n3c(=O)cc(C)n(N)c3=O)cc21
InChIInChI=1S/C14H13FN4O5/c1-7-3-12(20)17(14(22)18(7)16)9-5-10-11(4-8(9)15)24-6-13(21)19(10)23-2/h3-5H,6,16H2,1-2H3
InChIKeyFYZINQHVSDCCQY-UHFFFAOYSA-N
XLogP-0.55
TPSA108.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione?
The IUPAC name of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione (CID 20707584) is 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione is CON1C(=O)COc2cc(F)c(-n3c(=O)cc(C)n(N)c3=O)cc21.
What is the InChIKey of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione?
The InChIKey is FYZINQHVSDCCQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O5/c1-7-3-12(20)17(14(22)18(7)16)9-5-10-11(4-8(9)15)24-6-13(21)19(10)23-2/h3-5H,6,16H2,1-2H3.
What are the key properties of 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione?
1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione has a molecular weight of 336.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(7-fluoro-4-methoxy-3-oxo-1,4-benzoxazin-6-yl)-6-methylpyrimidine-2,4-dione is sourced from PubChem (CID 20707584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).