ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide

C12H18FN3O5 — CID 175007671

IUPACethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.CCOC(C)=O
InChIInChI=1S/C8H10FN3O3.C4H8O2/c1-2-3-10-7(14)12-4-5(9)6(13)11-8(12)15;1-3-6-4(2)5/h4H,2-3H2,1H3,(H,10,14)(H,11,13,15);3H2,1-2H3
InChIKeyZSSUSEBADJXEMF-UHFFFAOYSA-N
MW303.29 g/mol
LogP0.21
Rot. Bonds3

About ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide

ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide (PubChem CID 175007671) has the molecular formula C12H18FN3O5 and a molecular weight of 303.29 g/mol. Its IUPAC name is ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide.

Molecular Properties

Compound Nameethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
PubChem CID175007671
Molecular FormulaC12H18FN3O5
Molecular Weight303.29 g/mol
Exact Mass303.12
IUPAC Nameethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
SMILESCCCNC(=O)n1cc(F)c(=O)[nH]c1=O.CCOC(C)=O
InChIInChI=1S/C8H10FN3O3.C4H8O2/c1-2-3-10-7(14)12-4-5(9)6(13)11-8(12)15;1-3-6-4(2)5/h4H,2-3H2,1H3,(H,10,14)(H,11,13,15);3H2,1-2H3
InChIKeyZSSUSEBADJXEMF-UHFFFAOYSA-N
XLogP0.21
TPSA110.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-fluoro-N-(4-methylpentyl)-2,4-dioxopyrimidine-1-carboxamide
CID 68650560
5-fluoro-N-[2-(4-methoxycyclohexyl)ethyl]-2,4-dioxopyrimidine-1-carboxamide
CID 10757550
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
CID 121461121
ethane;5-fluoro-N-methyl-2,4-dioxopyrimidine-1-carboxamide
CID 145209845
5-fluoro-2,4-dioxo-N-(5,5,6,6,6-pentadeuteriohexyl)pyrimidine-1-carboxamide
CID 53380026
N-[5-(2,5-dioxopyrrolidin-1-yl)pentyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525065
[1-(hexylcarbamoyl)-2,4-dioxopyrimidin-5-yl] acetate
CID 162654698
N-[2-(2-cyanoethylsulfanyl)ethyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525088
N-[(2,4-dimethoxycyclohexyl)methyl]-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 10830193
1-ethyl-N-[3-[(5-fluoro-2,4-dioxopyrimidine-1-carbonyl)amino]propyl]indole-2-carboxamide
CID 177371910
N-(1-adamantylmethyl)-5-fluoro-2,4-dioxopyrimidine-1-carboxamide
CID 20525096
1-(3-amino-3-hydroxypropanoyl)-5-fluoropyrimidine-2,4-dione
CID 58503450

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide?
The IUPAC name of ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide (CID 175007671) is ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide.
What is the SMILES notation for ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide?
The canonical SMILES for ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide is CCCNC(=O)n1cc(F)c(=O)[nH]c1=O.CCOC(C)=O.
What is the InChIKey of ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide?
The InChIKey is ZSSUSEBADJXEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O3.C4H8O2/c1-2-3-10-7(14)12-4-5(9)6(13)11-8(12)15;1-3-6-4(2)5/h4H,2-3H2,1H3,(H,10,14)(H,11,13,15);3H2,1-2H3.
What are the key properties of ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide?
ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide has a molecular weight of 303.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide is sourced from PubChem (CID 175007671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).