5-amino-3-fluoro-1H-pyrimidine-2,4-dione

C4H4FN3O2 — CID 175056002

IUPAC5-amino-3-fluoro-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)n(F)c1=O
InChIInChI=1S/C4H4FN3O2/c5-8-3(9)2(6)1-7-4(8)10/h1H,6H2,(H,7,10)
InChIKeyHFDYEEUMCHNWPZ-UHFFFAOYSA-N
MW145.09 g/mol
LogP-1.15
Rot. Bonds

About 5-amino-3-fluoro-1H-pyrimidine-2,4-dione

5-amino-3-fluoro-1H-pyrimidine-2,4-dione (PubChem CID 175056002) has the molecular formula C4H4FN3O2 and a molecular weight of 145.09 g/mol. Its IUPAC name is 5-amino-3-fluoro-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-3-fluoro-1H-pyrimidine-2,4-dione
PubChem CID175056002
Molecular FormulaC4H4FN3O2
Molecular Weight145.09 g/mol
Exact Mass145.03
IUPAC Name5-amino-3-fluoro-1H-pyrimidine-2,4-dione
SMILESNc1c[nH]c(=O)n(F)c1=O
InChIInChI=1S/C4H4FN3O2/c5-8-3(9)2(6)1-7-4(8)10/h1H,6H2,(H,7,10)
InChIKeyHFDYEEUMCHNWPZ-UHFFFAOYSA-N
XLogP-1.15
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.09
LogP ≤ 5-1.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Aminouracil
CID 13611
5-Amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 265774
5-(Hydroxydiazenyl)pyrimidine-2,4-diol
CID 227928
5-(Dimethylamino)uracil
CID 255552
5-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 250711
2,4-dioxo-1H-pyrimidine-5-diazonium
CID 24328
2,4-Dihydroxy-5-pyrimidinylsulfamic acid
CID 227929
N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 348854
2-amino-N-(2,4-dioxo-1H-pyrimidin-5-yl)acetamide
CID 42600450
g-Fluorouracil
CID 19087763
5-(dimethylaminodiazenyl)-1H-pyrimidine-2,4-dione
CID 282290
5-Nitrosouracil
CID 328363

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-amino-3-fluoro-1H-pyrimidine-2,4-dione (CID 175056002) is 5-amino-3-fluoro-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-3-fluoro-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-amino-3-fluoro-1H-pyrimidine-2,4-dione is Nc1c[nH]c(=O)n(F)c1=O.
What is the InChIKey of 5-amino-3-fluoro-1H-pyrimidine-2,4-dione?
The InChIKey is HFDYEEUMCHNWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN3O2/c5-8-3(9)2(6)1-7-4(8)10/h1H,6H2,(H,7,10).
What are the key properties of 5-amino-3-fluoro-1H-pyrimidine-2,4-dione?
5-amino-3-fluoro-1H-pyrimidine-2,4-dione has a molecular weight of 145.09 g/mol, XLogP of -1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175056002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).