(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol

C8H9BrClN3O2 — CID 130702874

IUPAC(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C8H9BrClN3O2/c9-4-1-11-8(10)13-7(4)12-5-2-15-3-6(5)14/h1,5-6,14H,2-3H2,(H,11,12,13)/t5-,6-/m1/s1
InChIKeyZTCQJNAQFDEGNU-PHDIDXHHSA-N
MW294.54 g/mol
LogP1.06
Rot. Bonds2

About (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol

(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol (PubChem CID 130702874) has the molecular formula C8H9BrClN3O2 and a molecular weight of 294.54 g/mol. Its IUPAC name is (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
PubChem CID130702874
Molecular FormulaC8H9BrClN3O2
Molecular Weight294.54 g/mol
Exact Mass292.96
IUPAC Name(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1Nc1nc(Cl)ncc1Br
InChIInChI=1S/C8H9BrClN3O2/c9-4-1-11-8(10)13-7(4)12-5-2-15-3-6(5)14/h1,5-6,14H,2-3H2,(H,11,12,13)/t5-,6-/m1/s1
InChIKeyZTCQJNAQFDEGNU-PHDIDXHHSA-N
XLogP1.06
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.54
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol with MolForge

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Related Compounds

3-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclobutan-1-ol
CID 79073506
5-bromo-2-chloro-N-(2-methylcycloheptyl)pyrimidin-4-amine
CID 79074019
5-bromo-2-chloro-N-(2-phenylcyclopropyl)pyrimidin-4-amine
CID 79072485
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 79075996
cis-(1S,2R)-2-[(5-bromo-2-chloropyrimidin-4-yl)amino]-N-methylcyclopentane-1-carboxamide
CID 59361807
N-(5-bromo-2-chloropyrimidin-4-yl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 79072472
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 106193759
4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol
CID 130727372
5-bromo-2-chloro-N-phosphanylpyrimidin-4-amine
CID 143899539
[4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexyl] carbamate
CID 175010663
5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine
CID 127002096
N-(1-benzyl-4-methylpyrrolidin-3-yl)-5-bromo-2-chloropyrimidin-4-amine
CID 130908937

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol (CID 130702874) is (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol is O[C@@H]1COC[C@H]1Nc1nc(Cl)ncc1Br.
What is the InChIKey of (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol?
The InChIKey is ZTCQJNAQFDEGNU-PHDIDXHHSA-N. The full InChI is InChI=1S/C8H9BrClN3O2/c9-4-1-11-8(10)13-7(4)12-5-2-15-3-6(5)14/h1,5-6,14H,2-3H2,(H,11,12,13)/t5-,6-/m1/s1.
What are the key properties of (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol?
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol has a molecular weight of 294.54 g/mol, XLogP of 1.06, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol is sourced from PubChem (CID 130702874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).