4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one

C17H19F2N3O3 — CID 144900272

IUPAC4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2CCC(COCc3ccccc3)(C(F)F)O2)c(=O)n1
InChIInChI=1S/C17H19F2N3O3/c18-15(19)17(11-24-10-12-4-2-1-3-5-12)8-6-14(25-17)22-9-7-13(20)21-16(22)23/h1-5,7,9,14-15H,6,8,10-11H2,(H2,20,21,23)
InChIKeyCSIFWDZQTLRNGO-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.36
Rot. Bonds6

About 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 144900272) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID144900272
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC Name4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn(C2CCC(COCc3ccccc3)(C(F)F)O2)c(=O)n1
InChIInChI=1S/C17H19F2N3O3/c18-15(19)17(11-24-10-12-4-2-1-3-5-12)8-6-14(25-17)22-9-7-13(20)21-16(22)23/h1-5,7,9,14-15H,6,8,10-11H2,(H2,20,21,23)
InChIKeyCSIFWDZQTLRNGO-UHFFFAOYSA-N
XLogP2.36
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidin-2-one
CID 142192946
[2-[5-(4-amino-2-oxopyrimidin-1-yl)-2-(chloromethyl)oxolan-2-yl]-1-fluoropropyl]-[hydroxy(phosphonooxy)phosphoryl]oxyphosphinic acid
CID 123339899
4-amino-1-[(2R,5S)-5-ethynyl-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 11345359
4-amino-1-[5-(difluoromethyl)-5-(hydroxymethyl)oxolan-2-yl]-5-ethylpyrimidin-2-one
CID 144900839
4-amino-1-[(2R)-5-[(2-amino-1-hydroxyethoxy)methyl]-5-methyloxolan-2-yl]pyrimidin-2-one
CID 156825342
4-amino-1-[(2R,5S)-5-(hydroxymethyl)-5-propyloxolan-2-yl]pyrimidin-2-one
CID 138526614
4-amino-5-chloro-1-[(2R,3R,4S,5R)-5-(difluoromethyl)-3-hydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 118294355
[(2S,3S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-benzoyloxy-2-fluorooxolan-2-yl]methyl benzoate
CID 166734210
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 70382786
4-amino-1-[(2R,3S,4S,5R)-3,4-bis(phenylmethoxy)-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 11398434
4-amino-1-[3-hydroxy-3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 144905759
4-amino-1-[3-methyl-5-(phenylmethoxymethyl)thiolan-2-yl]pyrimidin-2-one
CID 144905769

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 144900272) is 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn(C2CCC(COCc3ccccc3)(C(F)F)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is CSIFWDZQTLRNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c18-15(19)17(11-24-10-12-4-2-1-3-5-12)8-6-14(25-17)22-9-7-13(20)21-16(22)23/h1-5,7,9,14-15H,6,8,10-11H2,(H2,20,21,23).
What are the key properties of 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 351.35 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-(difluoromethyl)-5-(phenylmethoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 144900272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).