(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate

C11H14FN3O4 — CID 158574269

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate
SMILESC=C(CCC(=O)OCn1cc(F)c(=O)[nH]c1=O)NC
InChIInChI=1S/C11H14FN3O4/c1-7(13-2)3-4-9(16)19-6-15-5-8(12)10(17)14-11(15)18/h5,13H,1,3-4,6H2,2H3,(H,14,17,18)
InChIKeyUKYCGFVPJILVID-UHFFFAOYSA-N
MW271.25 g/mol
LogP-0.31
Rot. Bonds6

About (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate (PubChem CID 158574269) has the molecular formula C11H14FN3O4 and a molecular weight of 271.25 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate
PubChem CID158574269
Molecular FormulaC11H14FN3O4
Molecular Weight271.25 g/mol
Exact Mass271.10
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate
SMILESC=C(CCC(=O)OCn1cc(F)c(=O)[nH]c1=O)NC
InChIInChI=1S/C11H14FN3O4/c1-7(13-2)3-4-9(16)19-6-15-5-8(12)10(17)14-11(15)18/h5,13H,1,3-4,6H2,2H3,(H,14,17,18)
InChIKeyUKYCGFVPJILVID-UHFFFAOYSA-N
XLogP-0.31
TPSA93.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate (CID 158574269) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate is C=C(CCC(=O)OCn1cc(F)c(=O)[nH]c1=O)NC.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate?
The InChIKey is UKYCGFVPJILVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O4/c1-7(13-2)3-4-9(16)19-6-15-5-8(12)10(17)14-11(15)18/h5,13H,1,3-4,6H2,2H3,(H,14,17,18).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 4-(methylamino)pent-4-enoate has a molecular weight of 271.25 g/mol, XLogP of -0.31, 6 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 4-(methylamino)pent-4-enoate is sourced from PubChem (CID 158574269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).