4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one

C10H14BrN3O3 — CID 118151131

IUPAC4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCOCC1CC[C@H](n2cc(Br)c(N)nc2=O)O1
InChIInChI=1S/C10H14BrN3O3/c1-16-5-6-2-3-8(17-6)14-4-7(11)9(12)13-10(14)15/h4,6,8H,2-3,5H2,1H3,(H2,12,13,15)/t6?,8-/m1/s1
InChIKeyANQNYQNTUUDGJC-QFSRMBNQSA-N
MW304.14 g/mol
LogP0.91
Rot. Bonds3

About 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one

4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one (PubChem CID 118151131) has the molecular formula C10H14BrN3O3 and a molecular weight of 304.14 g/mol. Its IUPAC name is 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
PubChem CID118151131
Molecular FormulaC10H14BrN3O3
Molecular Weight304.14 g/mol
Exact Mass303.02
IUPAC Name4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
SMILESCOCC1CC[C@H](n2cc(Br)c(N)nc2=O)O1
InChIInChI=1S/C10H14BrN3O3/c1-16-5-6-2-3-8(17-6)14-4-7(11)9(12)13-10(14)15/h4,6,8H,2-3,5H2,1H3,(H2,12,13,15)/t6?,8-/m1/s1
InChIKeyANQNYQNTUUDGJC-QFSRMBNQSA-N
XLogP0.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-5-bromo-1-[5-(2-hydroxyethyl)oxolan-2-yl]pyrimidin-2-one
CID 139418545
4-amino-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 174252906
[5-[4-amino-5-(2-aminoethyl)-2-oxopyrimidin-1-yl]oxolan-2-yl]methoxythallium
CID 153392821
4-amino-1-[(2R,5R)-5-ethyloxolan-2-yl]-5-methylpyrimidin-2-one
CID 164835462
4-amino-1-[(5S)-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidin-2-one
CID 71158798
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 2-methylpropanoate;fluoromethane
CID 164882274
[5-(4-amino-5-fluoro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl 3-methylbutanoate
CID 178041271
4-amino-5-fluoro-1-[5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;ethane
CID 160959975
4-amino-5-bromo-1-[(2S,4S,5R)-4-[tert-butyl(dimethyl)silyl]oxy-5-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-2-yl]pyrimidin-2-one
CID 101170673
[(2S,5R)-5-(4-amino-5-chloro-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl phosphono hydrogen phosphate
CID 164881742
4-amino-1-[5-(2-hydroxyethyl)oxolan-2-yl]-5-(hydroxymethyl)pyrimidin-2-one
CID 139418555
[(2S,5R)-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-2-yl]methyl methyl hydrogen phosphate
CID 130458181

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The IUPAC name of 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one (CID 118151131) is 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The canonical SMILES for 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one is COCC1CC[C@H](n2cc(Br)c(N)nc2=O)O1.
What is the InChIKey of 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
The InChIKey is ANQNYQNTUUDGJC-QFSRMBNQSA-N. The full InChI is InChI=1S/C10H14BrN3O3/c1-16-5-6-2-3-8(17-6)14-4-7(11)9(12)13-10(14)15/h4,6,8H,2-3,5H2,1H3,(H2,12,13,15)/t6?,8-/m1/s1.
What are the key properties of 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one?
4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one has a molecular weight of 304.14 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-bromo-1-[(2R)-5-(methoxymethyl)oxolan-2-yl]pyrimidin-2-one is sourced from PubChem (CID 118151131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).