4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one

C15H17N3O3 — CID 70382786

IUPAC4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2CC[C@@H](COc3ccccc3)O2)c(=O)n1
InChIInChI=1S/C15H17N3O3/c16-13-8-9-18(15(19)17-13)14-7-6-12(21-14)10-20-11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H2,16,17,19)/t12-,14+/m0/s1
InChIKeyUYYGWTMBUUWMCK-GXTWGEPZSA-N
MW287.32 g/mol
LogP1.58
Rot. Bonds4

About 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 70382786) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID70382786
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESNc1ccn([C@H]2CC[C@@H](COc3ccccc3)O2)c(=O)n1
InChIInChI=1S/C15H17N3O3/c16-13-8-9-18(15(19)17-13)14-7-6-12(21-14)10-20-11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H2,16,17,19)/t12-,14+/m0/s1
InChIKeyUYYGWTMBUUWMCK-GXTWGEPZSA-N
XLogP1.58
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
4-amino-1-[(2R,5S)-5-(chloromethyl)oxolan-2-yl]pyrimidin-2-one
CID 23261046
4-amino-1-[(2R,5S)-5-(iodomethyl)oxolan-2-yl]pyrimidin-2-one
CID 124518306
4-amino-1-[(2R,5S)-5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 166811766
4-amino-1-[5-(nitrosomethyl)oxolan-2-yl]pyrimidin-2-one
CID 142117937
4-amino-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;methanol
CID 142192944
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181
methyl 2-[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-phenoxyphosphanyl]amino]-3-methylbutanoate;propane-2,2-diol
CID 145155283
[(2R,5S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate;azane
CID 51051540
[[(2S)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 129117968
[[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-hydroxyphosphoryl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate
CID 90708490
tetralithium;[[[5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] phosphate
CID 171034938

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 70382786) is 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one is Nc1ccn([C@H]2CC[C@@H](COc3ccccc3)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is UYYGWTMBUUWMCK-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H17N3O3/c16-13-8-9-18(15(19)17-13)14-7-6-12(21-14)10-20-11-4-2-1-3-5-11/h1-5,8-9,12,14H,6-7,10H2,(H2,16,17,19)/t12-,14+/m0/s1.
What are the key properties of 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 287.32 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[(2R,5S)-5-(phenoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 70382786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).