(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea

C5H5FN4O2 — CID 136734272

IUPAC(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C5H5FN4O2/c6-2-1-3(11)9-5(8-2)10-4(7)12/h1H,(H4,7,8,9,10,11,12)
InChIKeyJDBGFHYQHPJEHI-UHFFFAOYSA-N
MW172.12 g/mol
LogP-0.60
Rot. Bonds1

About (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea

(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea (PubChem CID 136734272) has the molecular formula C5H5FN4O2 and a molecular weight of 172.12 g/mol. Its IUPAC name is (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea.

Molecular Properties

Compound Name(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea
PubChem CID136734272
Molecular FormulaC5H5FN4O2
Molecular Weight172.12 g/mol
Exact Mass172.04
IUPAC Name(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea
SMILESNC(=O)Nc1nc(F)cc(=O)[nH]1
InChIInChI=1S/C5H5FN4O2/c6-2-1-3(11)9-5(8-2)10-4(7)12/h1H,(H4,7,8,9,10,11,12)
InChIKeyJDBGFHYQHPJEHI-UHFFFAOYSA-N
XLogP-0.60
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea?
The IUPAC name of (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea (CID 136734272) is (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea.
What is the SMILES notation for (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea?
The canonical SMILES for (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea is NC(=O)Nc1nc(F)cc(=O)[nH]1.
What is the InChIKey of (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea?
The InChIKey is JDBGFHYQHPJEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN4O2/c6-2-1-3(11)9-5(8-2)10-4(7)12/h1H,(H4,7,8,9,10,11,12).
What are the key properties of (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea?
(4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea has a molecular weight of 172.12 g/mol, XLogP of -0.60, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-6-oxo-1H-pyrimidin-2-yl)urea is sourced from PubChem (CID 136734272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).