1-(cyclobutylamino)-5-fluoropyrimidin-2-one

C8H10FN3O — CID 142784794

IUPAC1-(cyclobutylamino)-5-fluoropyrimidin-2-one
SMILESO=c1ncc(F)cn1NC1CCC1
InChIInChI=1S/C8H10FN3O/c9-6-4-10-8(13)12(5-6)11-7-2-1-3-7/h4-5,7,11H,1-3H2
InChIKeyKJVYAQAYFFRDGA-UHFFFAOYSA-N
MW183.19 g/mol
LogP0.48
Rot. Bonds2

About 1-(cyclobutylamino)-5-fluoropyrimidin-2-one

1-(cyclobutylamino)-5-fluoropyrimidin-2-one (PubChem CID 142784794) has the molecular formula C8H10FN3O and a molecular weight of 183.19 g/mol. Its IUPAC name is 1-(cyclobutylamino)-5-fluoropyrimidin-2-one.

Molecular Properties

Compound Name1-(cyclobutylamino)-5-fluoropyrimidin-2-one
PubChem CID142784794
Molecular FormulaC8H10FN3O
Molecular Weight183.19 g/mol
Exact Mass183.08
IUPAC Name1-(cyclobutylamino)-5-fluoropyrimidin-2-one
SMILESO=c1ncc(F)cn1NC1CCC1
InChIInChI=1S/C8H10FN3O/c9-6-4-10-8(13)12(5-6)11-7-2-1-3-7/h4-5,7,11H,1-3H2
InChIKeyKJVYAQAYFFRDGA-UHFFFAOYSA-N
XLogP0.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylamino)-5-fluoropyrimidin-2-one?
The IUPAC name of 1-(cyclobutylamino)-5-fluoropyrimidin-2-one (CID 142784794) is 1-(cyclobutylamino)-5-fluoropyrimidin-2-one.
What is the SMILES notation for 1-(cyclobutylamino)-5-fluoropyrimidin-2-one?
The canonical SMILES for 1-(cyclobutylamino)-5-fluoropyrimidin-2-one is O=c1ncc(F)cn1NC1CCC1.
What is the InChIKey of 1-(cyclobutylamino)-5-fluoropyrimidin-2-one?
The InChIKey is KJVYAQAYFFRDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O/c9-6-4-10-8(13)12(5-6)11-7-2-1-3-7/h4-5,7,11H,1-3H2.
What are the key properties of 1-(cyclobutylamino)-5-fluoropyrimidin-2-one?
1-(cyclobutylamino)-5-fluoropyrimidin-2-one has a molecular weight of 183.19 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylamino)-5-fluoropyrimidin-2-one is sourced from PubChem (CID 142784794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).