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

Name: Ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₈FN₃O₅ — CID 175007671

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 Name	Ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
PubChem CID	175007671
Molecular Formula	C₁₂H₁₈FN₃O₅
Molecular Weight	303.29 g/mol
Exact Mass	303.12
IUPAC Name	ethyl acetate;5-fluoro-2,4-dioxo-N-propylpyrimidine-1-carboxamide
SMILES	CCCNC(=O)n1cc(F)c(=O)[nH]c1=O.CCOC(C)=O
InChI	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
InChIKey	ZSSUSEBADJXEMF-UHFFFAOYSA-N
XLogP	0.21
TPSA	110.26 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	21
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.29
LogP ≤ 5	0.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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).

Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 175007671 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.