(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate

C11H16FN3O4 — CID 15172520

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
SMILESNCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O4/c12-8-6-15(11(18)14-10(8)17)7-19-9(16)4-2-1-3-5-13/h6H,1-5,7,13H2,(H,14,17,18)
InChIKeyVTRFWFRVXJABQW-UHFFFAOYSA-N
MW273.26 g/mol
LogP-0.30
Rot. Bonds7

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate (PubChem CID 15172520) has the molecular formula C11H16FN3O4 and a molecular weight of 273.26 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
PubChem CID15172520
Molecular FormulaC11H16FN3O4
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
SMILESNCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H16FN3O4/c12-8-6-15(11(18)14-10(8)17)7-19-9(16)4-2-1-3-5-13/h6H,1-5,7,13H2,(H,14,17,18)
InChIKeyVTRFWFRVXJABQW-UHFFFAOYSA-N
XLogP-0.30
TPSA107.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl heptanoate
CID 13014276
1-O-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl] 6-O-(2,3,4,5,6-pentafluorophenyl) hexanedioate
CID 10623582
1-O-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl] 4-O-(2,3,4,5,6-pentafluorophenyl) butanedioate
CID 10526436
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)-4-oxobutanoate;methane
CID 158179056
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate
CID 158574269
ethyl 4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanoate
CID 14551426
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
CID 10377149
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-[[1-[(3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2-oxopyrimidin-4-yl]amino]-6-oxohexanoate
CID 10625597
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
CID 121461121
[5-fluoro-3-(hexadecanoyloxymethyl)-2,4-dioxopyrimidin-1-yl]methyl hexadecanoate
CID 13014288
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
4-(5-fluoro-2,4-dioxopyrimidin-1-yl)butanethioamide
CID 63559003

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate (CID 15172520) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate is NCCCCCC(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate?
The InChIKey is VTRFWFRVXJABQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O4/c12-8-6-15(11(18)14-10(8)17)7-19-9(16)4-2-1-3-5-13/h6H,1-5,7,13H2,(H,14,17,18).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate has a molecular weight of 273.26 g/mol, XLogP of -0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate is sourced from PubChem (CID 15172520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).