4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine

C8H10BrN3O2 — CID 131026861

IUPAC4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine
SMILESNc1nc(Br)cc(OC2CCOC2)n1
InChIInChI=1S/C8H10BrN3O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)
InChIKeyICZPJIRYVHDASI-UHFFFAOYSA-N
MW260.09 g/mol
LogP0.99
Rot. Bonds2

About 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine

4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine (PubChem CID 131026861) has the molecular formula C8H10BrN3O2 and a molecular weight of 260.09 g/mol. Its IUPAC name is 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine
PubChem CID131026861
Molecular FormulaC8H10BrN3O2
Molecular Weight260.09 g/mol
Exact Mass259.00
IUPAC Name4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine
SMILESNc1nc(Br)cc(OC2CCOC2)n1
InChIInChI=1S/C8H10BrN3O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12)
InChIKeyICZPJIRYVHDASI-UHFFFAOYSA-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

5-bromo-4-[(3S)-oxolan-3-yl]oxypyrimidin-2-amine
CID 118036259
5-bromo-6-(oxolan-3-yloxy)pyridin-3-amine
CID 79535032
5-methyl-2-(oxolan-3-yloxy)pyridin-4-amine
CID 83267067
4-(oxolan-3-yloxy)quinazolin-2-amine
CID 80876588
2-methyl-6-(oxan-4-yloxy)pyrimidin-4-amine
CID 80872310
4-fluoro-6-(oxolan-3-yloxy)pyrimidine
CID 115416188
N-ethyl-4-methyl-6-(oxolan-3-yloxy)pyrimidin-2-amine
CID 80876812
4-(oxolan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241695
3-(5-bromo-2-fluorophenoxy)oxolane
CID 114672573
5-chloro-6-[(3R)-oxolan-3-yl]oxypyridin-2-amine
CID 177179845
(3S)-3-(4-bromo-2,6-difluorophenoxy)oxolane
CID 121407954
2-amino-4-[(3S)-oxolan-3-yl]oxypyrimidine-5-carbonitrile
CID 118036555

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine?
The IUPAC name of 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine (CID 131026861) is 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine?
The canonical SMILES for 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine is Nc1nc(Br)cc(OC2CCOC2)n1.
What is the InChIKey of 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine?
The InChIKey is ICZPJIRYVHDASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O2/c9-6-3-7(12-8(10)11-6)14-5-1-2-13-4-5/h3,5H,1-2,4H2,(H2,10,11,12).
What are the key properties of 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine?
4-bromo-6-(oxolan-3-yloxy)pyrimidin-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 4-bromo-6-(oxolan-3-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 131026861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).