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

C9H9FN2O4 — CID 14477737

IUPAC(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O4/c1-5(2)8(14)16-4-12-3-6(10)7(13)11-9(12)15/h3H,1,4H2,2H3,(H,11,13,15)
InChIKeyHJJCOASFIFIMDO-UHFFFAOYSA-N
MW228.18 g/mol
LogP-0.25
Rot. Bonds3

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

(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate (PubChem CID 14477737) has the molecular formula C9H9FN2O4 and a molecular weight of 228.18 g/mol. Its IUPAC name is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
PubChem CID14477737
Molecular FormulaC9H9FN2O4
Molecular Weight228.18 g/mol
Exact Mass228.05
IUPAC Name(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O4/c1-5(2)8(14)16-4-12-3-6(10)7(13)11-9(12)15/h3H,1,4H2,2H3,(H,11,13,15)
InChIKeyHJJCOASFIFIMDO-UHFFFAOYSA-N
XLogP-0.25
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 5-0.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

1-((Allyloxy)methyl)-5-methyl-2,4(1H,3H)-pyrimidinedione
CID 376601
Methyl (E)-3-thymin-1-yl-propenoate
CID 6450954
1-Isobutoxycarbonyl-5-fluorouracil
CID 13061636
1-(5-Fluoro-2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 16752227
Methyl 3-(5-fluoro-2,4-dioxo-3,4-dihydropyrimidin-1(2h)-yl)propanoate
CID 23624586
1-(2-Methacryloyloxy)ethylcarbamoyl-5-fluorouracil
CID 135563881
ThyPropOate
CID 15138291
ethyl (Z)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083718
ethyl (E)-2-fluoro-4-(5-methyl-2,4-dioxopyrimidin-1-yl)but-2-enoate
CID 10083719
Butanoic acid, (5-fluoro-3,4-dihydro-2,4-dioxo-1(2H)-pyrimidinyl)methyl ester
CID 94621
1-[(Propionyloxy)methyl]-5-fluorouracil
CID 10398379
1-(Acetoxymethyl)-5-fluorouracil
CID 11820151

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The IUPAC name of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate (CID 14477737) is (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate.
What is the SMILES notation for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The canonical SMILES for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate is C=C(C)C(=O)OCn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
The InChIKey is HJJCOASFIFIMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O4/c1-5(2)8(14)16-4-12-3-6(10)7(13)11-9(12)15/h3H,1,4H2,2H3,(H,11,13,15).
What are the key properties of (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate?
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate has a molecular weight of 228.18 g/mol, XLogP of -0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 2-methylprop-2-enoate is sourced from PubChem (CID 14477737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).