5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine

C8H10BrN3O2 — CID 118036259

IUPAC5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESNc1ncc(Br)c(O[C@H]2CCOC2)n1
InChIInChI=1S/C8H10BrN3O2/c9-6-3-11-8(10)12-7(6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)/t5-/m0/s1
InChIKeyBRGLPQOKZAJJEP-YFKPBYRVSA-N
MW260.09 g/mol
LogP0.99
Rot. Bonds2

About 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine

5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine (PubChem CID 118036259) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine
PubChem CID118036259
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine
SMILESNc1ncc(Br)c(O[C@H]2CCOC2)n1
InChIInChI=1S/C8H10BrN3O2/c9-6-3-11-8(10)12-7(6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)/t5-/m0/s1
InChIKeyBRGLPQOKZAJJEP-YFKPBYRVSA-N
XLogP0.99
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile
CID 118036555
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
5-(4-methylcyclohexyl)-4-(oxolan-3-yloxy)pyrimidin-2-amine
CID 66995655
4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 131026861
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 177179845
[5-bromo-2-(oxolan-3-yloxy)-3-pyridinyl]methanol
CID 63558075
4-(1-benzylpyrrolidin-3-yl)oxy-5-bromopyrimidin-2-amine
CID 80879763
3-bromo-8-(oxolan-3-yloxy)quinolin-5-amine
CID 106949868
5-amino-2-(oxolan-3-yloxy)pyridine-3-carboxamide
CID 63559404
5-methyl-2-(oxolan-3-yloxy)pyridin-4-amine
CID 83267067
4-cyclobutyloxy-5-methylpyrimidin-2-amine
CID 80873387

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine?
The IUPAC name of 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine (CID 118036259) is 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine is Nc1ncc(Br)c(O[C@H]2CCOC2)n1.
What is the InChIKey of 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine?
The InChIKey is BRGLPQOKZAJJEP-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-3-11-8(10)12-7(6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)/t5-/m0/s1.
What are the key properties of 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine?
5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine has a molecular weight of 260.09 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine is sourced from PubChem (CID 118036259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).