(4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea

C5H6FN5O2 — CID 174871991

IUPAC(4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea
SMILESNC(=O)Nn1cc(F)c(N)nc1=O
InChIInChI=1S/C5H6FN5O2/c6-2-1-11(10-4(8)12)5(13)9-3(2)7/h1H,(H2,7,9,13)(H3,8,10,12)
InChIKeyXLLSFURDLLFNID-UHFFFAOYSA-N
MW187.13 g/mol
LogP-1.41
Rot. Bonds1

About (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea

(4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea (PubChem CID 174871991) has the molecular formula C5H6FN5O2 and a molecular weight of 187.13 g/mol. Its IUPAC name is (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea.

Molecular Properties

Compound Name(4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea
PubChem CID174871991
Molecular FormulaC5H6FN5O2
Molecular Weight187.13 g/mol
Exact Mass187.05
IUPAC Name(4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea
SMILESNC(=O)Nn1cc(F)c(N)nc1=O
InChIInChI=1S/C5H6FN5O2/c6-2-1-11(10-4(8)12)5(13)9-3(2)7/h1H,(H2,7,9,13)(H3,8,10,12)
InChIKeyXLLSFURDLLFNID-UHFFFAOYSA-N
XLogP-1.41
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.13
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea?
The IUPAC name of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea (CID 174871991) is (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea.
What is the SMILES notation for (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea?
The canonical SMILES for (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea is NC(=O)Nn1cc(F)c(N)nc1=O.
What is the InChIKey of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea?
The InChIKey is XLLSFURDLLFNID-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN5O2/c6-2-1-11(10-4(8)12)5(13)9-3(2)7/h1H,(H2,7,9,13)(H3,8,10,12).
What are the key properties of (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea?
(4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea has a molecular weight of 187.13 g/mol, XLogP of -1.41, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-fluoro-2-oxopyrimidin-1-yl)urea is sourced from PubChem (CID 174871991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).