5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine

C9H11BrClN3O — CID 130854686

IUPAC5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2COCC2Cl)ncc1Br
InChIInChI=1S/C9H11BrClN3O/c1-5-6(10)2-12-9(13-5)14-8-4-15-3-7(8)11/h2,7-8H,3-4H2,1H3,(H,12,13,14)
InChIKeyLHBNDQUNDWKTTN-UHFFFAOYSA-N
MW292.56 g/mol
LogP1.97
Rot. Bonds2

About 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine

5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine (PubChem CID 130854686) has the molecular formula C9H11BrClN3O and a molecular weight of 292.56 g/mol. Its IUPAC name is 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
PubChem CID130854686
Molecular FormulaC9H11BrClN3O
Molecular Weight292.56 g/mol
Exact Mass290.98
IUPAC Name5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
SMILESCc1nc(NC2COCC2Cl)ncc1Br
InChIInChI=1S/C9H11BrClN3O/c1-5-6(10)2-12-9(13-5)14-8-4-15-3-7(8)11/h2,7-8H,3-4H2,1H3,(H,12,13,14)
InChIKeyLHBNDQUNDWKTTN-UHFFFAOYSA-N
XLogP1.97
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.56
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-4-methyl-N-(oxolan-3-yl)pyrimidin-2-amine
CID 131122958
N-(3-bicyclo[3.1.0]hexanyl)-5-bromo-4-methylpyrimidin-2-amine
CID 130791689
5-bromo-N-cyclohexyl-4-methylpyrimidin-2-amine
CID 115050366
5-bromo-N-(4-chlorooxolan-3-yl)pyrimidin-4-amine
CID 127002096
3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
CID 127002095
5-bromo-N-cyclohex-3-en-1-yl-4-methylpyrimidin-2-amine
CID 130900359
5-bromo-N-[(3-chlorocyclobutyl)methyl]-4-methylpyrimidin-2-amine
CID 130821715
N-(5-bromo-4-methylpyrimidin-2-yl)morpholin-4-amine
CID 131080680
5-bromo-4-methyl-N-propan-2-ylpyrimidin-2-amine
CID 115037552
5-bromo-N-(1-cyclopropylpropan-2-yl)-4-methylpyrimidin-2-amine
CID 130987156
N-(4-chlorooxolan-3-yl)-1-methylimidazol-2-amine
CID 130679234
(3S,4R)-4-[(5-bromo-6-methyl-2-pyridinyl)amino]oxolan-3-ol
CID 128565486

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine (CID 130854686) is 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine is Cc1nc(NC2COCC2Cl)ncc1Br.
What is the InChIKey of 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine?
The InChIKey is LHBNDQUNDWKTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrClN3O/c1-5-6(10)2-12-9(13-5)14-8-4-15-3-7(8)11/h2,7-8H,3-4H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine?
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine has a molecular weight of 292.56 g/mol, XLogP of 1.97, 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)-4-methylpyrimidin-2-amine is sourced from PubChem (CID 130854686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).