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

C9H12FN3O2 — CID 154522632

IUPAC4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1OC(n2ccc(N)nc2=O)CC1F
InChIInChI=1S/C9H12FN3O2/c1-5-6(10)4-8(15-5)13-3-2-7(11)12-9(13)14/h2-3,5-6,8H,4H2,1H3,(H2,11,12,14)
InChIKeyHYXIASOSKRRUEG-UHFFFAOYSA-N
MW213.21 g/mol
LogP0.47
Rot. Bonds1

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

4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one (PubChem CID 154522632) has the molecular formula C9H12FN3O2 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one
PubChem CID154522632
Molecular FormulaC9H12FN3O2
Molecular Weight213.21 g/mol
Exact Mass213.09
IUPAC Name4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one
SMILESCC1OC(n2ccc(N)nc2=O)CC1F
InChIInChI=1S/C9H12FN3O2/c1-5-6(10)4-8(15-5)13-3-2-7(11)12-9(13)14/h2-3,5-6,8H,4H2,1H3,(H2,11,12,14)
InChIKeyHYXIASOSKRRUEG-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one (CID 154522632) is 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one is CC1OC(n2ccc(N)nc2=O)CC1F.
What is the InChIKey of 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is HYXIASOSKRRUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN3O2/c1-5-6(10)4-8(15-5)13-3-2-7(11)12-9(13)14/h2-3,5-6,8H,4H2,1H3,(H2,11,12,14).
What are the key properties of 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one?
4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 213.21 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-fluoro-5-methyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 154522632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).