4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one

C8H10BrN3O2 — CID 130156369

IUPAC4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one
SMILESNc1ccn(C2OCCC2Br)c(=O)n1
InChIInChI=1S/C8H10BrN3O2/c9-5-2-4-14-7(5)12-3-1-6(10)11-8(12)13/h1,3,5,7H,2,4H2,(H2,10,11,13)
InChIKeyDGZNNDJORBVLGA-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.51
Rot. Bonds1

About 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one

4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one (PubChem CID 130156369) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one
PubChem CID130156369
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one
SMILESNc1ccn(C2OCCC2Br)c(=O)n1
InChIInChI=1S/C8H10BrN3O2/c9-5-2-4-14-7(5)12-3-1-6(10)11-8(12)13/h1,3,5,7H,2,4H2,(H2,10,11,13)
InChIKeyDGZNNDJORBVLGA-UHFFFAOYSA-N
XLogP0.51
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(2R,4S,5R)-5-ethyl-3,4-dimethyloxolan-2-yl]pyrimidin-2-one
CID 59223220
4-amino-1-(4-fluoro-1,3-dioxolan-2-yl)pyrimidin-2-one
CID 91595392
sodium;4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one;hydride
CID 173204866
4-amino-1-[(1S,2R,4S,5R)-4-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-2-yl]pyrimidin-2-one
CID 10878776
4-amino-1-(6-hydroxy-4-oxa-1-azaspiro[2.4]heptan-5-yl)pyrimidin-2-one
CID 130330274
4-(15N)azanyl-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 10586353
4-amino-1-[(2S,3R,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 3013211
4-amino-1-[(4S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one
CID 71230474
4-amino-1-[1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one
CID 141009241
4-amino-1-[(2R,5R)-5-ethyl-3-iodooxolan-2-yl]pyrimidin-2-one
CID 174006574
4-amino-1-[5-(hydroxymethyl)-3-methyloxolan-2-yl]pyrimidin-2-one
CID 71344855
4-amino-1-[5-(hydroxymethyl)pyrrolidin-2-yl]pyrimidin-2-one
CID 142042837

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one?
The IUPAC name of 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one (CID 130156369) is 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one?
The canonical SMILES for 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one is Nc1ccn(C2OCCC2Br)c(=O)n1.
What is the InChIKey of 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one?
The InChIKey is DGZNNDJORBVLGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-5-2-4-14-7(5)12-3-1-6(10)11-8(12)13/h1,3,5,7H,2,4H2,(H2,10,11,13).
What are the key properties of 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one?
4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one has a molecular weight of 260.09 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(3-bromooxolan-2-yl)pyrimidin-2-one is sourced from PubChem (CID 130156369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).