4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one

C11H16FN3O2 — CID 58538495

IUPAC4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one
SMILESCC1OC(n2cc(F)c(N)nc2=O)C(C)C1C
InChIInChI=1S/C11H16FN3O2/c1-5-6(2)10(17-7(5)3)15-4-8(12)9(13)14-11(15)16/h4-7,10H,1-3H3,(H2,13,14,16)
InChIKeyMBHNSPJFOPXMSP-UHFFFAOYSA-N
MW241.27 g/mol
LogP1.15
Rot. Bonds1

About 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one

4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one (PubChem CID 58538495) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one
PubChem CID58538495
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one
SMILESCC1OC(n2cc(F)c(N)nc2=O)C(C)C1C
InChIInChI=1S/C11H16FN3O2/c1-5-6(2)10(17-7(5)3)15-4-8(12)9(13)14-11(15)16/h4-7,10H,1-3H3,(H2,13,14,16)
InChIKeyMBHNSPJFOPXMSP-UHFFFAOYSA-N
XLogP1.15
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one (CID 58538495) is 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one is CC1OC(n2cc(F)c(N)nc2=O)C(C)C1C.
What is the InChIKey of 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is MBHNSPJFOPXMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O2/c1-5-6(2)10(17-7(5)3)15-4-8(12)9(13)14-11(15)16/h4-7,10H,1-3H3,(H2,13,14,16).
What are the key properties of 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one?
4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 241.27 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 58538495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).