4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one

C9H12FN3O2 — CID 70885363

IUPAC4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1CCC(n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C9H12FN3O2/c1-5-2-3-7(15-5)13-4-6(10)8(11)12-9(13)14/h4-5,7H,2-3H2,1H3,(H2,11,12,14)
InChIKeyCXDUQBCAJLKGSL-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.66
Rot. Bonds1

About 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one

4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one (PubChem CID 70885363) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one
PubChem CID70885363
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1CCC(n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C9H12FN3O2/c1-5-2-3-7(15-5)13-4-6(10)8(11)12-9(13)14/h4-5,7H,2-3H2,1H3,(H2,11,12,14)
InChIKeyCXDUQBCAJLKGSL-UHFFFAOYSA-N
XLogP0.66
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 50.66
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-(5-methyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one (CID 70885363) is 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one is CC1CCC(n2cc(F)c(N)nc2=O)O1.
What is the InChIKey of 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is CXDUQBCAJLKGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-5-2-3-7(15-5)13-4-6(10)8(11)12-9(13)14/h4-5,7H,2-3H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one?
4-amino-5-fluoro-1-(5-methyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 213.21 g/mol, XLogP of 0.66, 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-(5-methyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 70885363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).