N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide

C7H8FN3O3 — CID 151473261

IUPACN-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C7H8FN3O3/c1-2-9-6(13)4-3(8)5(12)11-7(14)10-4/h2H2,1H3,(H,9,13)(H2,10,11,12,14)
InChIKeyPKXRWABWCBLGRS-UHFFFAOYSA-N
MW201.16 g/mol
LogP-1.05
Rot. Bonds2

About N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 151473261) has the molecular formula C7H8FN3O3 and a molecular weight of 201.16 g/mol. Its IUPAC name is N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID151473261
Molecular FormulaC7H8FN3O3
Molecular Weight201.16 g/mol
Exact Mass201.05
IUPAC NameN-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCCNC(=O)c1[nH]c(=O)[nH]c(=O)c1F
InChIInChI=1S/C7H8FN3O3/c1-2-9-6(13)4-3(8)5(12)11-7(14)10-4/h2H2,1H3,(H,9,13)(H2,10,11,12,14)
InChIKeyPKXRWABWCBLGRS-UHFFFAOYSA-N
XLogP-1.05
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.16
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 151473261) is N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide is CCNC(=O)c1[nH]c(=O)[nH]c(=O)c1F.
What is the InChIKey of N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is PKXRWABWCBLGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O3/c1-2-9-6(13)4-3(8)5(12)11-7(14)10-4/h2H2,1H3,(H,9,13)(H2,10,11,12,14).
What are the key properties of N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 201.16 g/mol, XLogP of -1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-fluoro-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 151473261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).