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

C10H13F2N3O2 — CID 129280547

IUPAC4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one
SMILESCC1CC(C)(F)C(n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C10H13F2N3O2/c1-5-3-10(2,12)8(17-5)15-4-6(11)7(13)14-9(15)16/h4-5,8H,3H2,1-2H3,(H2,13,14,16)
InChIKeyPCYVVEAVUXDIBH-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.00
Rot. Bonds1

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

4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one (PubChem CID 129280547) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one
PubChem CID129280547
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one
SMILESCC1CC(C)(F)C(n2cc(F)c(N)nc2=O)O1
InChIInChI=1S/C10H13F2N3O2/c1-5-3-10(2,12)8(17-5)15-4-6(11)7(13)14-9(15)16/h4-5,8H,3H2,1-2H3,(H2,13,14,16)
InChIKeyPCYVVEAVUXDIBH-UHFFFAOYSA-N
XLogP1.00
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

4-amino-5-fluoro-1-tetrahydro-2-furanyl-2(1H)-pyrimidinone
CID 13100575
4-amino-5-fluoro-1-[(2R,3R,4S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 57827111
4-amino-1-[(2R,3S,5R)-5-ethyl-3-fluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 57887609
4-amino-1-[(2R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 57957659
4-amino-1-[(5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]pyrimidin-2-one
CID 57957662
4-amino-1-[(2R,4R,5R)-5-ethyl-3,3-difluoro-4-methyloxolan-2-yl]-5-fluoropyrimidin-2-one
CID 58364843
4-Amino-5-fluoro-1-(3,4,5-trimethyloxolan-2-yl)pyrimidin-2-one
CID 58538495
4-amino-5-fluoro-1-[(2R,4R,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 59510445
4-amino-5-fluoro-1-[(2R,3S,5R)-3,4,5-trimethyloxolan-2-yl]pyrimidin-2-one
CID 59510446
4-amino-5-fluoro-1-[(2S,5R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 59795837
4-amino-5-fluoro-1-[(2R,5S)-5-(pentoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 66741332
4-amino-5-fluoro-1-[(2R,5R)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 67764139

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one (CID 129280547) is 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one is CC1CC(C)(F)C(n2cc(F)c(N)nc2=O)O1.
What is the InChIKey of 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one?
The InChIKey is PCYVVEAVUXDIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-5-3-10(2,12)8(17-5)15-4-6(11)7(13)14-9(15)16/h4-5,8H,3H2,1-2H3,(H2,13,14,16).
What are the key properties of 4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one?
4-amino-5-fluoro-1-(3-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one has a molecular weight of 245.23 g/mol, XLogP of 1.00, 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-fluoro-3,5-dimethyloxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 129280547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).