5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine

C8H9BrClN3O — CID 127002096

IUPAC5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine
SMILESClC1COCC1Nc1ncncc1Br
InChIInChI=1S/C8H9BrClN3O/c9-5-1-11-4-12-8(5)13-7-3-14-2-6(7)10/h1,4,6-7H,2-3H2,(H,11,12,13)
InChIKeyDVEWFOHKDKCKAW-UHFFFAOYSA-N
MW278.54 g/mol
LogP1.66
Rot. Bonds2

About 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine

5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine (PubChem CID 127002096) has the molecular formula C8H9BrClN3O and a molecular weight of 278.54 g/mol. Its IUPAC name is 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine
PubChem CID127002096
Molecular FormulaC8H9BrClN3O
Molecular Weight278.54 g/mol
Exact Mass276.96
IUPAC Name5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine
SMILESClC1COCC1Nc1ncncc1Br
InChIInChI=1S/C8H9BrClN3O/c9-5-1-11-4-12-8(5)13-7-3-14-2-6(7)10/h1,4,6-7H,2-3H2,(H,11,12,13)
InChIKeyDVEWFOHKDKCKAW-UHFFFAOYSA-N
XLogP1.66
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.54
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
CID 127002095
5-bromo-N-[(3R,4S)-4-(triazol-1-yl)oxolan-3-yl]pyrimidin-4-amine
CID 120921090
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
N-(2-bicyclo[2.2.1]heptanyl)-5-bromopyrimidin-4-amine
CID 66340376
5-bromo-N-(2-methylthiolan-3-yl)pyrimidin-4-amine
CID 130710649
N-(7-bicyclo[4.1.0]heptanyl)-5-bromopyrimidin-4-amine
CID 130934708
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
CID 130702874
5-bromo-N-(3,5-dimethylcyclohexyl)pyrimidin-4-amine
CID 66339947
5-bromo-N-(1,4-dioxan-2-ylmethyl)pyrimidin-4-amine
CID 66340765
N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine
CID 130679234
N-(1-benzylpiperidin-3-yl)-5-bromopyrimidin-4-amine
CID 66342377
2-[(5-chloropyrimidin-4-yl)amino]cyclohexan-1-ol
CID 105369367

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine (CID 127002096) is 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine is ClC1COCC1Nc1ncncc1Br.
What is the InChIKey of 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine?
The InChIKey is DVEWFOHKDKCKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClN3O/c9-5-1-11-4-12-8(5)13-7-3-14-2-6(7)10/h1,4,6-7H,2-3H2,(H,11,12,13).
What are the key properties of 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine?
5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine has a molecular weight of 278.54 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 127002096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).