4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one

C13H19N3O5 — CID 59035820

IUPAC4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESNc1ccn(C2COC(COC3CCCCO3)O2)c(=O)n1
InChIInChI=1S/C13H19N3O5/c14-9-4-5-16(13(17)15-9)10-7-19-12(21-10)8-20-11-3-1-2-6-18-11/h4-5,10-12H,1-3,6-8H2,(H2,14,15,17)
InChIKeyZLTOXVPRGNZSCU-UHFFFAOYSA-N
MW297.31 g/mol
LogP0.24
Rot. Bonds4

About 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one

4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one (PubChem CID 59035820) has the molecular formula C13H19N3O5 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
PubChem CID59035820
Molecular FormulaC13H19N3O5
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one
SMILESNc1ccn(C2COC(COC3CCCCO3)O2)c(=O)n1
InChIInChI=1S/C13H19N3O5/c14-9-4-5-16(13(17)15-9)10-7-19-12(21-10)8-20-11-3-1-2-6-18-11/h4-5,10-12H,1-3,6-8H2,(H2,14,15,17)
InChIKeyZLTOXVPRGNZSCU-UHFFFAOYSA-N
XLogP0.24
TPSA97.83 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-(oxan-2-yloxy)-5-(oxan-2-yloxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10409486
[4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-amino-3-methylbutanoate
CID 59035728
[(4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl (2S)-2-amino-3-methylbutanoate
CID 158417076
[[(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
CID 503022
[(2R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]oxymethylphosphonic acid
CID 24763733
[(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl propan-2-yl carbonate;2,2,2-trifluoroacetic acid
CID 157442032
[(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-methyl-3,3-diphenylpropanoate
CID 59035767
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
4-amino-1-[(2S,4S)-2-(hydroxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one;[(2S,4S)-4-(4-amino-2-oxopyrimidin-1-yl)-1,3-dioxolan-2-yl]methyl 2-benzylbenzoate;3-phenylbenzoic acid
CID 158643671
4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
CID 91595392
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

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one (CID 59035820) is 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is Nc1ccn(C2COC(COC3CCCCO3)O2)c(=O)n1.
What is the InChIKey of 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
The InChIKey is ZLTOXVPRGNZSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O5/c14-9-4-5-16(13(17)15-9)10-7-19-12(21-10)8-20-11-3-1-2-6-18-11/h4-5,10-12H,1-3,6-8H2,(H2,14,15,17).
What are the key properties of 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one?
4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one has a molecular weight of 297.31 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[2-(oxan-2-yloxymethyl)-1,3-dioxolan-4-yl]pyrimidin-2-one is sourced from PubChem (CID 59035820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).