3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide

C9H8FN5O3 — CID 174778955

IUPAC3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide
SMILESNC(=O)c1cnccn1.O=c1cc[nH]c(=O)n1F
InChIInChI=1S/C5H5N3O.C4H3FN2O2/c6-5(9)4-3-7-1-2-8-4;5-7-3(8)1-2-6-4(7)9/h1-3H,(H2,6,9);1-2H,(H,6,9)
InChIKeyADIVMFMURFBJJF-UHFFFAOYSA-N
MW253.19 g/mol
LogP-1.16
Rot. Bonds1

About 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide

3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide (PubChem CID 174778955) has the molecular formula C9H8FN5O3 and a molecular weight of 253.19 g/mol. Its IUPAC name is 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide
PubChem CID174778955
Molecular FormulaC9H8FN5O3
Molecular Weight253.19 g/mol
Exact Mass253.06
IUPAC Name3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide
SMILESNC(=O)c1cnccn1.O=c1cc[nH]c(=O)n1F
InChIInChI=1S/C5H5N3O.C4H3FN2O2/c6-5(9)4-3-7-1-2-8-4;5-7-3(8)1-2-6-4(7)9/h1-3H,(H2,6,9);1-2H,(H,6,9)
InChIKeyADIVMFMURFBJJF-UHFFFAOYSA-N
XLogP-1.16
TPSA123.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.19
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

bis(pyrazine-2-carboxamide);1,2,4,5-tetrafluoro-3,6-diiodobenzene
CID 139203790
N-deuteriopyrazine-2-carboxamide
CID 175943999
1H-imidazol-2-yl(pyrazin-2-yl)methanone
CID 57100700
pyrazine;pyrazine-2-carbonitrile;pyrazine-2-carboxamide
CID 159756851
tetrakis(pyrazine-2-carboxylic acid);zirconium
CID 172643699
platinum(2+);bis(pyrazine-2-carboxylic acid);dichloride
CID 54591628
potassium;hydride;pyrazine-2-carboxylic acid
CID 174693780
N-(diaminomethylidene)-4-phenylbenzamide;pyrazine-2-carboxamide
CID 157476260
N'-(1H-imidazole-2-carbonyl)pyrazine-2-carbohydrazide
CID 141129728
pyrazine-2-carbothioic S-acid
CID 87249006
amino pyrazine-2-carboxylate
CID 67878279
silyl pyrazine-2-carboxylate
CID 137330489

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide?
The IUPAC name of 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide (CID 174778955) is 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide.
What is the SMILES notation for 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide?
The canonical SMILES for 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide is NC(=O)c1cnccn1.O=c1cc[nH]c(=O)n1F.
What is the InChIKey of 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide?
The InChIKey is ADIVMFMURFBJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N3O.C4H3FN2O2/c6-5(9)4-3-7-1-2-8-4;5-7-3(8)1-2-6-4(7)9/h1-3H,(H2,6,9);1-2H,(H,6,9).
What are the key properties of 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide?
3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide has a molecular weight of 253.19 g/mol, XLogP of -1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1H-pyrimidine-2,4-dione;pyrazine-2-carboxamide is sourced from PubChem (CID 174778955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).