2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

C7H8FN3O2 — CID 80550493

IUPAC2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CC2)nc(O)c1F
InChIInChI=1S/C7H8FN3O2/c8-4-5(12)10-7(11-6(4)13)9-3-1-2-3/h3H,1-2H2,(H3,9,10,11,12,13)
InChIKeyCCZCKLGDFIUZHJ-UHFFFAOYSA-N
MW185.16 g/mol
LogP0.19
Rot. Bonds2

About 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one

2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 80550493) has the molecular formula C7H8FN3O2 and a molecular weight of 185.16 g/mol. Its IUPAC name is 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
PubChem CID80550493
Molecular FormulaC7H8FN3O2
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Name2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]c(NC2CC2)nc(O)c1F
InChIInChI=1S/C7H8FN3O2/c8-4-5(12)10-7(11-6(4)13)9-3-1-2-3/h3H,1-2H2,(H3,9,10,11,12,13)
InChIKeyCCZCKLGDFIUZHJ-UHFFFAOYSA-N
XLogP0.19
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one (CID 80550493) is 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]c(NC2CC2)nc(O)c1F.
What is the InChIKey of 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is CCZCKLGDFIUZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2/c8-4-5(12)10-7(11-6(4)13)9-3-1-2-3/h3H,1-2H2,(H3,9,10,11,12,13).
What are the key properties of 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one?
2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 185.16 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 80550493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).