(2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine

C8H9BrClN3O — CID 87694432

IUPAC(2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine
SMILESNC1CCO[C@H]1c1nc(Cl)ncc1Br
InChIInChI=1S/C8H9BrClN3O/c9-4-3-12-8(10)13-6(4)7-5(11)1-2-14-7/h3,5,7H,1-2,11H2/t5?,7-/m1/s1
InChIKeyZNPXDTRZZHKTOG-NQPNHJOESA-N
MW278.54 g/mol
LogP1.68
Rot. Bonds1

About (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine

(2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine (PubChem CID 87694432) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine
PubChem CID87694432
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name(2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine
SMILESNC1CCO[C@H]1c1nc(Cl)ncc1Br
InChIInChI=1S/C8H9BrClN3O/c9-4-3-12-8(10)13-6(4)7-5(11)1-2-14-7/h3,5,7H,1-2,11H2/t5?,7-/m1/s1
InChIKeyZNPXDTRZZHKTOG-NQPNHJOESA-N
XLogP1.68
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-chloropyrimidin-4-amine;oxolane
CID 143294282
5-bromo-2-chloro-4-(oxan-4-ylsulfanyl)pyrimidine
CID 79073525
2-(5-bromo-3-pyridinyl)oxolan-3-amine;dihydrochloride
CID 122236370
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 79075996
5-bromo-2-chloro-N-cyclopropyl-N-methylpyrimidin-4-amine
CID 79076587
4-(5-bromo-2-chloropyrimidin-4-yl)-5-ethyl-2-methylmorpholine
CID 79075990
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
CID 130702874
(3S)-2-(7H-purin-6-yl)oxolan-3-amine
CID 86585157
4-[(5-bromo-2-chloropyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 106193759
2-(3-chlorophenyl)oxolan-3-amine
CID 79364588
(2S,3S)-2-pyridin-3-yloxolan-3-amine
CID 124511858
N-(2-bicyclo[2.2.1]heptanylmethyl)-5-bromo-2-chloropyrimidin-4-amine
CID 79073593

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine?
The IUPAC name of (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine (CID 87694432) is (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine.
What is the SMILES notation for (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine?
The canonical SMILES for (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine is NC1CCO[C@H]1c1nc(Cl)ncc1Br.
What is the InChIKey of (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine?
The InChIKey is ZNPXDTRZZHKTOG-NQPNHJOESA-N. The full InChI is InChI=1S/C8H9BrClN3O/c9-4-3-12-8(10)13-6(4)7-5(11)1-2-14-7/h3,5,7H,1-2,11H2/t5?,7-/m1/s1.
What are the key properties of (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine?
(2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine has a molecular weight of 278.54 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-bromo-2-chloropyrimidin-4-yl)oxolan-3-amine is sourced from PubChem (CID 87694432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).